CID 20491271

2,6-dimethyl-4-(3-methylbutyl)cyclohexanol

Structural Information

Molecular Formula
C13H26O
SMILES
CC1CC(CC(C1O)C)CCC(C)C
InChI
InChI=1S/C13H26O/c1-9(2)5-6-12-7-10(3)13(14)11(4)8-12/h9-14H,5-8H2,1-4H3
InChIKey
IYCAAVOUGBNPPO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(3-methylbutyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 150.0
[M+Na]+ 221.187578 154.8
[M-H]- 197.191084 151.6
[M+NH4]+ 216.232183 169.3
[M+K]+ 237.161518 152.8
[M+H-H2O]+ 181.195620 145.0
[M+HCOO]- 243.196561 166.5
[M+CH3COO]- 257.212211 188.3
[M+Na-2H]- 219.173026 149.3
[M]+ 198.19781142 147.1
[M]- 198.19890858 147.1
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

patents stripe