CID 138505

1-butylcyclohexanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCC1(CCCCC1)O

InChI

InChI=1S/C10H20O/c1-2-3-7-10(11)8-5-4-6-9-10/h11H,2-9H2,1H3

InChIKey

RCHLXMOXBJRGNX-UHFFFAOYSA-N

Compound name

1-butylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1853
Patents: 156.15141 Da
Monoisotopic Mass: 3.0
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	138.1
[M+Na]+	179.140628	142.4
[M-H]-	155.144134	139.4
[M+NH4]+	174.185233	160.2
[M+K]+	195.114568	140.8
[M+H-H2O]+	139.148670	133.4
[M+HCOO]-	201.149611	156.7
[M+CH3COO]-	215.165261	174.4
[M+Na-2H]-	177.126076	143.3
[M]+	156.15086142	133.9
[M]-	156.15195858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe