CID 14976717

2-(4,4-dimethylcyclohexyl)ethan-1-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC1(CCC(CC1)CCO)C
InChI
InChI=1S/C10H20O/c1-10(2)6-3-9(4-7-10)5-8-11/h9,11H,3-8H2,1-2H3
InChIKey
SVNRZNYAUYWNBY-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

156.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 137.0
[M+Na]+ 179.14063 142.3
[M-H]- 155.14413 138.7
[M+NH4]+ 174.18523 159.5
[M+K]+ 195.11457 140.8
[M+H-H2O]+ 139.14867 132.7
[M+HCOO]- 201.14961 155.6
[M+CH3COO]- 215.16526 175.5
[M+Na-2H]- 177.12608 141.7
[M]+ 156.15086 133.2
[M]- 156.15196 133.2
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