CID 15308

5-hexenoic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=CCCCC(=O)O

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)

InChIKey

XUDOZULIAWNMIU-UHFFFAOYSA-N

Compound name

hex-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 6108
Patents: 114.06808 Da
Monoisotopic Mass: 1.2
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]+	115.07536	123.6
[M+Na]+	137.05730	133.4
[M+NH4]+	132.10190	130.8
[M+K]+	153.03124	128.4
[M-H]-	113.06080	122.0
[M+Na-2H]-	135.04275	126.6
[M]+	114.06753	124.2
[M]-	114.06863	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe