Metabolite 11-Hydroxy-delta-9-THC

Name

11-Hydroxy-delta-9-THC

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 330.4611
Monoisotopic: 330.219494826

Chemical Formula

C₂₁H₃₀O₃

InChI Key

YCBKSSAWEUDACY-UHFFFAOYSA-N

InChI

InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3

IUPAC Name

9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol

SMILES

CCCCCC1=CC(O)=C2C3C=C(CO)CCC3C(C)(C)OC2=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0pxs-5194000000-90688c2be83fa30f8ac7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01q9-0009000000-3ee4f3188aad5be2c559
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-8c712c8fcc6c49e49403
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01t9-0039000000-9ec7f42228c82b7e7475
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001r-1089000000-c9ca976ba158c1cbcd6c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0109-0091000000-735953b921dc114730bb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000f-6984000000-f4dc2f0b7308258536ac

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	197.2688588	predicted	DarkChem Lite v0.1.0
[M-H]-	197.2688588	predicted	DarkChem Lite v0.1.0
[M-H]-	191.14064	predicted	DeepCCS 1.0 (2019)
[M-H]-	191.14064	predicted	DeepCCS 1.0 (2019)
[M+H]+	196.8379588	predicted	DarkChem Lite v0.1.0
[M+H]+	196.8379588	predicted	DarkChem Lite v0.1.0
[M+H]+	193.49863	predicted	DeepCCS 1.0 (2019)
[M+H]+	193.49863	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.2408588	predicted	DarkChem Lite v0.1.0
[M+Na]+	197.2408588	predicted	DarkChem Lite v0.1.0
[M+Na]+	199.73952	predicted	DeepCCS 1.0 (2019)
[M+Na]+	199.73952	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties