Metabolite Carveol

Name

Carveol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

1L9KXT85R9

CAS number

Not Available

Weight

Average: 152.237
Monoisotopic: 152.120115135

Chemical Formula

C₁₀H₁₆O

InChI Key

BAVONGHXFVOKBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3

IUPAC Name

2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol

SMILES

[H]C([H])=C(C([H])([H])[H])C1([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])(O)C1([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0gc9-9200000000-d270baae0672bddf4630
GC-MS Spectrum - EI-B	GC-MS	splash10-001i-9300000000-c0df06475a23b1847e64
GC-MS Spectrum - EI-B	GC-MS	splash10-0a5c-9400000000-20e9d5aa724b146ecbe0
Mass Spectrum (Electron Ionization)	MS	splash10-00kf-9600000000-b8936fad384c0f501d3a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9500000000-ec2eb3b5a4967383ca68
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0900000000-b535426807c4f97438d3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f89-0900000000-077e4939e1980ef8b014
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9100000000-e8cdd3b4e0e477a07595
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0159-8900000000-f14a712ef9a048f65154
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-44d5523c60ee0f896de3

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	136.5099868	predicted	DarkChem Lite v0.1.0
[M-H]-	135.77342	predicted	DeepCCS 1.0 (2019)
[M+H]+	136.4997868	predicted	DarkChem Lite v0.1.0
[M+H]+	138.32417	predicted	DeepCCS 1.0 (2019)
[M+Na]+	136.6295868	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.34383	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties