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 157.0
[M+Na]+ 235.20324 158.4
[M-H]- 211.20674 157.1
[M+NH4]+ 230.24784 174.7
[M+K]+ 251.17718 156.0
[M+H-H2O]+ 195.21128 150.7
[M+HCOO]- 257.21222 173.1
[M+CH3COO]- 271.22787 187.8
[M+Na-2H]- 233.18869 157.6
[M]+ 212.21347 153.2
[M]- 212.21457 153.2
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

patents stripe