CID 2060518

71101-89-8

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)

InChIKey

BALGERHMIXFENA-UHFFFAOYSA-N

Compound name

4-butylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1357
Patents: 184.14633 Da
Monoisotopic Mass: 3.7
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]+	185.153606	144.2
[M+Na]+	207.135548	148.2
[M-H]-	183.139054	145.3
[M+NH4]+	202.180153	163.3
[M+K]+	223.109488	146.4
[M+H-H2O]+	167.143590	138.7
[M+HCOO]-	229.144531	161.9
[M+CH3COO]-	243.160181	181.0
[M+Na-2H]-	205.120996	145.9
[M]+	184.14578142	140.6
[M]-	184.14687858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe