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]+ 227.23694 159.8
[M+Na]+ 249.21888 162.3
[M-H]- 225.22238 160.5
[M+NH4]+ 244.26348 177.4
[M+K]+ 265.19282 160.1
[M+H-H2O]+ 209.22692 154.4
[M+HCOO]- 271.22786 174.1
[M+CH3COO]- 285.24351 192.3
[M+Na-2H]- 247.20433 160.1
[M]+ 226.22911 156.4
[M]- 226.23021 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.