CID 112067

10534-31-3

Structural Information

Molecular Formula
C15H30O
SMILES
CC(C)C1CCC(CC1)C(C)(C)CC(C)O
InChI
InChI=1S/C15H30O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h11-14,16H,6-10H2,1-5H3
InChIKey
SYRLDJWPKGBIER-UHFFFAOYSA-N
Compound name
4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.22966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.23694 159.2
[M+Na]+ 249.21888 161.5
[M-H]- 225.22238 160.0
[M+NH4]+ 244.26348 176.8
[M+K]+ 265.19282 159.8
[M+H-H2O]+ 209.22692 154.0
[M+HCOO]- 271.22786 172.5
[M+CH3COO]- 285.24351 193.2
[M+Na-2H]- 247.20433 158.4
[M]+ 226.22911 155.2
[M]- 226.23021 155.2
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.