Metabolite 5-exo-hydroxyfenchone

Name

5-exo-hydroxyfenchone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 168.236
Monoisotopic: 168.115029755

Chemical Formula

C₁₀H₁₆O₂

InChI Key

DJQYBVLXBVJHMU-IROMYEEYSA-N

InChI

InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7?,10-/m1/s1

IUPAC Name

(1S,4S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

SMILES

CC1(C)[C@@H]2CC(=O)[C@@]1(C)CC2O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zgi-0900000000-2daa14d4b5e4e092474a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0900000000-8c584268fe6a64fda653
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a7i-1900000000-a2635c4cfe42ccdb5f18
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0900000000-2b92801dd399cabe4c7d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-009i-1900000000-2317efbef099632718e1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0900000000-c70784b0bc2c1cbf0463

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	139.1465	predicted	DeepCCS 1.0 (2019)
[M+H]+	141.54207	predicted	DeepCCS 1.0 (2019)
[M+Na]+	147.45459	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties