CID 68158

4-methyl-3-pentenoic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(=CCC(=O)O)C

InChI

InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)

InChIKey

CQJHAULYLJXJNL-UHFFFAOYSA-N

Compound name

4-methylpent-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 716
Patents: 114.06808 Da
Monoisotopic Mass: 1.4
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	124.0
[M+Na]+	137.05730	133.6
[M+NH4]+	132.10190	131.2
[M+K]+	153.03124	129.4
[M-H]-	113.06080	122.2
[M+Na-2H]-	135.04275	126.7
[M]+	114.06753	124.5
[M]-	114.06863	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe