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: 9
Patents: 212.21402 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.221296	157.0
[M+Na]+	235.203238	158.4
[M-H]-	211.206744	157.1
[M+NH4]+	230.247843	174.7
[M+K]+	251.177178	156.0
[M+H-H2O]+	195.211280	150.7
[M+HCOO]-	257.212221	173.1
[M+CH3COO]-	271.227871	187.8
[M+Na-2H]-	233.188686	157.6
[M]+	212.21347142	153.2
[M]-	212.21456858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe