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]+ 199.20564 151.8
[M+Na]+ 221.18758 154.4
[M-H]- 197.19108 152.7
[M+NH4]+ 216.23218 170.4
[M+K]+ 237.16152 152.8
[M+H-H2O]+ 181.19562 146.3
[M+HCOO]- 243.19656 167.4
[M+CH3COO]- 257.21221 186.8
[M+Na-2H]- 219.17303 151.2
[M]+ 198.19781 147.5
[M]- 198.19891 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.