CID 218609

6-(2-oxocyclopentyl)hexanoic acid

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

C1CC(C(=O)C1)CCCCCC(=O)O

InChI

InChI=1S/C11H18O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h9H,1-8H2,(H,13,14)

InChIKey

PGTPCJJMOJCWHV-UHFFFAOYSA-N

Compound name

6-(2-oxocyclopentyl)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 198.1256 Da
Monoisotopic Mass: 1.7
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]+	199.13288	147.3
[M+Na]+	221.11482	155.1
[M+NH4]+	216.15942	154.0
[M+K]+	237.08876	151.8
[M-H]-	197.11832	146.5
[M+Na-2H]-	219.10027	148.9
[M]+	198.12505	147.7
[M]-	198.12615	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe