CID 11971329

2-(isopropyl)-beta-methylcyclohexanepropanol

Structural Information

Molecular Formula
C13H26O
SMILES
CC(C)C1CCCCC1CC(C)CO
InChI
InChI=1S/C13H26O/c1-10(2)13-7-5-4-6-12(13)8-11(3)9-14/h10-14H,4-9H2,1-3H3
InChIKey
FJLMKTWTPFOFCT-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-propan-2-ylcyclohexyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 151.8
[M+Na]+ 221.187578 154.4
[M-H]- 197.191084 152.7
[M+NH4]+ 216.232183 170.4
[M+K]+ 237.161518 152.8
[M+H-H2O]+ 181.195620 146.3
[M+HCOO]- 243.196561 167.4
[M+CH3COO]- 257.212211 186.8
[M+Na-2H]- 219.173026 151.2
[M]+ 198.19781142 147.5
[M]- 198.19890858 147.5
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.