CID 78182

4441-57-0

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

C1CCC(CC1)CCCCO

InChI

InChI=1S/C10H20O/c11-9-5-4-8-10-6-2-1-3-7-10/h10-11H,1-9H2

InChIKey

NZEBWPHHIQAVOH-UHFFFAOYSA-N

Compound name

4-cyclohexylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 885
Patents: 156.15141 Da
Monoisotopic Mass: 3.5
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]+	157.158686	138.3
[M+Na]+	179.140628	141.6
[M-H]-	155.144134	139.1
[M+NH4]+	174.185233	158.3
[M+K]+	195.114568	139.8
[M+H-H2O]+	139.148670	132.7
[M+HCOO]-	201.149611	156.8
[M+CH3COO]-	215.165261	174.9
[M+Na-2H]-	177.126076	142.4
[M]+	156.15086142	133.7
[M]-	156.15195858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe