CID 11971328

94200-93-8

Structural Information

Molecular Formula
C15H30O
SMILES
CCC(C)(C)C1CCC(CC1)CC(C)CO
InChI
InChI=1S/C15H30O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h12-14,16H,5-11H2,1-4H3
InChIKey
VUDFQMZLNWAJIS-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.22966 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 159.8
[M+Na]+ 249.218878 162.3
[M-H]- 225.222384 160.5
[M+NH4]+ 244.263483 177.4
[M+K]+ 265.192818 160.1
[M+H-H2O]+ 209.226920 154.4
[M+HCOO]- 271.227861 174.1
[M+CH3COO]- 285.243511 192.3
[M+Na-2H]- 247.204326 160.1
[M]+ 226.22911142 156.4
[M]- 226.23020858 156.4
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.