CID 3056662

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

Structural Information

Molecular Formula
C14H20O
SMILES
C[C@@H]1CCCC[C@]1(C2=CC=CC=C2C)O
InChI
InChI=1S/C14H20O/c1-11-7-3-4-9-13(11)14(15)10-6-5-8-12(14)2/h3-4,7,9,12,15H,5-6,8,10H2,1-2H3/t12-,14+/m1/s1
InChIKey
PHDHMKBEBBKGJV-OCCSQVGLSA-N
Compound name
(1S,2R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 148.3
[M+Na]+ 227.14063 161.5
[M+NH4]+ 222.18523 159.4
[M+K]+ 243.11457 151.8
[M-H]- 203.14413 153.1
[M+Na-2H]- 225.12608 157.5
[M]+ 204.15086 151.8
[M]- 204.15196 151.8
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.