CID 97960

3,4-dimethylcyclohexanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1CCC(CC1C)O
InChI
InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3
InChIKey
ZBAXJUPCYVIBSP-UHFFFAOYSA-N
Compound name
3,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

197
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 127.8
[M+Na]+ 151.109338 134.0
[M-H]- 127.112844 129.9
[M+NH4]+ 146.153943 149.7
[M+K]+ 167.083278 132.8
[M+H-H2O]+ 111.117380 123.3
[M+HCOO]- 173.118321 147.1
[M+CH3COO]- 187.133971 171.0
[M+Na-2H]- 149.094786 131.8
[M]+ 128.11957142 123.4
[M]- 128.12066858 123.4
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