CID 113433

99886-29-0

Structural Information

Molecular Formula
C15H30O
SMILES
CC(C)C1CCCC(C1)C(C)(C)CC(C)O
InChI
InChI=1S/C15H30O/c1-11(2)13-7-6-8-14(9-13)15(4,5)10-12(3)16/h11-14,16H,6-10H2,1-5H3
InChIKey
IQXYUFKOYXBUEK-UHFFFAOYSA-N
Compound name
4-methyl-4-(3-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]+ 227.236936 159.2
[M+Na]+ 249.218878 161.5
[M-H]- 225.222384 160.0
[M+NH4]+ 244.263483 176.8
[M+K]+ 265.192818 159.8
[M+H-H2O]+ 209.226920 154.0
[M+HCOO]- 271.227861 172.5
[M+CH3COO]- 285.243511 193.2
[M+Na-2H]- 247.204326 158.4
[M]+ 226.22911142 155.2
[M]- 226.23020858 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.