CID 102631

2,3-dimethylcyclohexanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1CCCC(C1C)O
InChI
InChI=1S/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3
InChIKey
KMVFQKNNDPKWOX-UHFFFAOYSA-N
Compound name
2,3-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

410
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 127.8
[M+Na]+ 151.10934 134.0
[M-H]- 127.11284 129.9
[M+NH4]+ 146.15394 149.7
[M+K]+ 167.08328 132.8
[M+H-H2O]+ 111.11738 123.3
[M+HCOO]- 173.11832 147.1
[M+CH3COO]- 187.13397 171.0
[M+Na-2H]- 149.09479 131.8
[M]+ 128.11957 123.4
[M]- 128.12067 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