CID 20279000

2-propyl-5-cyclohexylpentanol

Structural Information

Molecular Formula
C14H28O
SMILES
CCCC(CCCC1CCCCC1)CO
InChI
InChI=1S/C14H28O/c1-2-7-14(12-15)11-6-10-13-8-4-3-5-9-13/h13-15H,2-12H2,1H3
InChIKey
XWHAYYKPSVZNCD-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2-propylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 155.7
[M+Na]+ 235.20324 164.6
[M+NH4]+ 230.24784 163.9
[M+K]+ 251.17718 157.4
[M-H]- 211.20674 157.2
[M+Na-2H]- 233.18869 159.0
[M]+ 212.21347 157.1
[M]- 212.21457 157.1
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

patents stripe