CID 8298

3,3,5-trimethylcyclohexanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1CC(CC(C1)(C)C)O
InChI
InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChIKey
BRRVXFOKWJKTGG-UHFFFAOYSA-N
Compound name
3,3,5-trimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

12
References

6595
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 131.3
[M+Na]+ 165.124988 138.0
[M-H]- 141.128494 133.6
[M+NH4]+ 160.169593 154.7
[M+K]+ 181.098928 136.8
[M+H-H2O]+ 125.133030 127.6
[M+HCOO]- 187.133971 150.2
[M+CH3COO]- 201.149621 173.6
[M+Na-2H]- 163.110436 135.9
[M]+ 142.13522142 127.5
[M]- 142.13631858 127.5
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