CID 209555

19986-16-4

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCC(C1CCCCC1)C(=O)O

InChI

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

InChIKey

DOIRJHXLDOQGNU-UHFFFAOYSA-N

Compound name

2-cyclohexylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 184.14633 Da
Monoisotopic Mass: 3.9
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]+	185.15361	145.1
[M+Na]+	207.13555	147.9
[M-H]-	183.13905	145.9
[M+NH4]+	202.18015	163.8
[M+K]+	223.10949	146.6
[M+H-H2O]+	167.14359	139.5
[M+HCOO]-	229.14453	161.8
[M+CH3COO]-	243.16018	180.7
[M+Na-2H]-	205.12100	146.2
[M]+	184.14578	140.4
[M]-	184.14688	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe