CID 11971295

94138-66-6

Structural Information

Molecular Formula
C14H28O
SMILES
CC(C)C(CC(C)(C)C1CCCCC1)O
InChI
InChI=1S/C14H28O/c1-11(2)13(15)10-14(3,4)12-8-6-5-7-9-12/h11-13,15H,5-10H2,1-4H3
InChIKey
BHHSAAAGWSTDGV-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2,5-dimethylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.21402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.221296 155.6
[M+Na]+ 235.203238 157.4
[M-H]- 211.206744 156.2
[M+NH4]+ 230.247843 173.5
[M+K]+ 251.177178 155.9
[M+H-H2O]+ 195.211280 150.4
[M+HCOO]- 257.212221 169.3
[M+CH3COO]- 271.227871 189.0
[M+Na-2H]- 233.188686 155.9
[M]+ 212.21347142 150.9
[M]- 212.21456858 150.9
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.