CID 11970851

Beta,gamma,4-trimethylcyclohexanepropanol

Structural Information

Molecular Formula
C12H24O
SMILES
CC1CCC(CC1)C(C)C(C)CO
InChI
InChI=1S/C12H24O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h9-13H,4-8H2,1-3H3
InChIKey
JADYNECLVZHQIE-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-methylcyclohexyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 147.2
[M+Na]+ 207.171928 150.2
[M-H]- 183.175434 148.2
[M+NH4]+ 202.216533 166.4
[M+K]+ 223.145868 148.9
[M+H-H2O]+ 167.179970 141.8
[M+HCOO]- 229.180911 163.1
[M+CH3COO]- 243.196561 183.8
[M+Na-2H]- 205.157376 147.1
[M]+ 184.18216142 142.5
[M]- 184.18325858 142.5
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

No patent data available for this compound.