CID 81405

1-(2-methylphenyl)cyclohexanol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=CC=CC=C1C2(CCCCC2)O
InChI
InChI=1S/C13H18O/c1-11-7-3-4-8-12(11)13(14)9-5-2-6-10-13/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKey
MCZGYWBDNZZZTJ-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 143.8
[M+Na]+ 213.12499 149.3
[M-H]- 189.12849 148.7
[M+NH4]+ 208.16959 164.5
[M+K]+ 229.09893 146.2
[M+H-H2O]+ 173.13303 137.8
[M+HCOO]- 235.13397 163.0
[M+CH3COO]- 249.14962 180.1
[M+Na-2H]- 211.11044 149.2
[M]+ 190.13522 138.5
[M]- 190.13632 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe