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
trans-(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]+ 205.158686 147.5
[M+Na]+ 227.140628 153.5
[M-H]- 203.144134 152.6
[M+NH4]+ 222.185233 168.0
[M+K]+ 243.114568 150.2
[M+H-H2O]+ 187.148670 141.5
[M+HCOO]- 249.149611 166.4
[M+CH3COO]- 263.165261 184.3
[M+Na-2H]- 225.126076 151.8
[M]+ 204.15086142 143.0
[M]- 204.15195858 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.