CID 94769

Cyclohexanepentanoic acid

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

C1CCC(CC1)CCCCC(=O)O

InChI

InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)

InChIKey

YMUHUYBRWUUAJF-UHFFFAOYSA-N

Compound name

5-cyclohexylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 633
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	144.6
[M+Na]+	207.13555	153.6
[M+NH4]+	202.18015	152.5
[M+K]+	223.10949	147.7
[M-H]-	183.13905	145.4
[M+Na-2H]-	205.12100	148.1
[M]+	184.14578	145.8
[M]-	184.14688	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe