CID 107269

4352-42-5

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCC(C1CCCCC1)O

InChI

InChI=1S/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3

InChIKey

MTUCYAOJXPTLHZ-UHFFFAOYSA-N

Compound name

1-cyclohexylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 362
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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	138.7
[M+Na]+	179.140628	141.9
[M-H]-	155.144134	139.6
[M+NH4]+	174.185233	158.7
[M+K]+	195.114568	140.5
[M+H-H2O]+	139.148670	133.3
[M+HCOO]-	201.149611	156.3
[M+CH3COO]-	215.165261	175.7
[M+Na-2H]-	177.126076	141.6
[M]+	156.15086142	133.5
[M]-	156.15195858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe