CID 3056590

Cyclohexanol, 2-ethyl-1-(o-tolyl)-, (e)-

Structural Information

Molecular Formula
C15H22O
SMILES
CC[C@@H]1CCCC[C@]1(C2=CC=CC=C2C)O
InChI
InChI=1S/C15H22O/c1-3-13-9-6-7-11-15(13,16)14-10-5-4-8-12(14)2/h4-5,8,10,13,16H,3,6-7,9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey
CXQQBRROPGFIBH-HIFRSBDPSA-N
Compound name
(1S,2R)-2-ethyl-1-(2-methylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.8
[M+Na]+ 241.15629 165.8
[M+NH4]+ 236.20089 163.8
[M+K]+ 257.13023 155.9
[M-H]- 217.15979 157.5
[M+Na-2H]- 239.14174 161.7
[M]+ 218.16652 156.2
[M]- 218.16762 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.