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

4
Patents

198.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 150.0
[M+Na]+ 221.18758 154.8
[M-H]- 197.19108 151.6
[M+NH4]+ 216.23218 169.3
[M+K]+ 237.16152 152.8
[M+H-H2O]+ 181.19562 145.0
[M+HCOO]- 243.19656 166.5
[M+CH3COO]- 257.21221 188.3
[M+Na-2H]- 219.17303 149.3
[M]+ 198.19781 147.1
[M]- 198.19891 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