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 147.5
[M+Na]+ 227.14063 153.5
[M-H]- 203.14413 152.6
[M+NH4]+ 222.18523 168.0
[M+K]+ 243.11457 150.2
[M+H-H2O]+ 187.14867 141.5
[M+HCOO]- 249.14961 166.4
[M+CH3COO]- 263.16526 184.3
[M+Na-2H]- 225.12608 151.8
[M]+ 204.15086 143.0
[M]- 204.15196 143.0
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.