CID 118129

2,2,6-trimethylcyclohexanemethanol

Structural Information

Molecular Formula
C10H20O
SMILES
CC1CCCC(C1CO)(C)C
InChI
InChI=1S/C10H20O/c1-8-5-4-6-10(2,3)9(8)7-11/h8-9,11H,4-7H2,1-3H3
InChIKey
WIYBEAHUAVVOHR-UHFFFAOYSA-N
Compound name
(2,2,6-trimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 135.9
[M+Na]+ 179.140628 142.1
[M-H]- 155.144134 138.0
[M+NH4]+ 174.185233 158.7
[M+K]+ 195.114568 140.6
[M+H-H2O]+ 139.148670 131.9
[M+HCOO]- 201.149611 154.5
[M+CH3COO]- 215.165261 176.7
[M+Na-2H]- 177.126076 140.0
[M]+ 156.15086142 132.5
[M]- 156.15195858 132.5
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

patents stripe