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]+ 171.17435 141.7
[M+Na]+ 193.15629 146.4
[M-H]- 169.15979 143.3
[M+NH4]+ 188.20089 163.6
[M+K]+ 209.13023 145.1
[M+H-H2O]+ 153.16433 137.4
[M+HCOO]- 215.16527 159.0
[M+CH3COO]- 229.18092 179.4
[M+Na-2H]- 191.14174 144.6
[M]+ 170.16652 137.6
[M]- 170.16762 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.