CID 5282852

Aleprestic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC(C=C1)CCCCC(=O)O

InChI

InChI=1S/C10H16O2/c11-10(12)8-4-3-7-9-5-1-2-6-9/h1,5,9H,2-4,6-8H2,(H,11,12)

InChIKey

LKYXRLKMAYFZDK-UHFFFAOYSA-N

Compound name

5-cyclopent-2-en-1-ylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 168.11504 Da
Monoisotopic Mass: 2.7
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]+	169.12232	139.8
[M+Na]+	191.10426	145.2
[M-H]-	167.10776	141.3
[M+NH4]+	186.14886	161.1
[M+K]+	207.07820	143.4
[M+H-H2O]+	151.11230	134.4
[M+HCOO]-	213.11324	161.3
[M+CH3COO]-	227.12889	176.1
[M+Na-2H]-	189.08971	142.3
[M]+	168.11449	138.9
[M]-	168.11559	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe