CID 137938444

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

Structural Information

Molecular Formula
C11H22O
SMILES
CC(CO)C1CCC(CC1)(C)C
InChI
InChI=1S/C11H22O/c1-9(8-12)10-4-6-11(2,3)7-5-10/h9-10,12H,4-8H2,1-3H3
InChIKey
JPYZIKZXFYYYQK-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 141.7
[M+Na]+ 193.156288 146.4
[M-H]- 169.159794 143.3
[M+NH4]+ 188.200893 163.6
[M+K]+ 209.130228 145.1
[M+H-H2O]+ 153.164330 137.4
[M+HCOO]- 215.165271 159.0
[M+CH3COO]- 229.180921 179.4
[M+Na-2H]- 191.141736 144.6
[M]+ 170.16652142 137.6
[M]- 170.16761858 137.6
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

No patent data available for this compound.