CID 25203761

2-oxopenta-3,4-dienoate

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C=C=CC(=O)C(=O)O

InChI

InChI=1S/C5H4O3/c1-2-3-4(6)5(7)8/h3H,1H2,(H,7,8)

InChIKey

BHAKTUBFIPSXEW-UHFFFAOYSA-N

Compound name

2-oxopenta-3,4-dienoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 112.016045 Da
Monoisotopic Mass: -0.1
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]+	113.023321	118.0
[M+Na]+	135.005263	126.0
[M-H]-	111.008769	117.4
[M+NH4]+	130.049868	139.9
[M+K]+	150.979203	125.0
[M+H-H2O]+	95.013305	114.2
[M+HCOO]-	157.014246	140.2
[M+CH3COO]-	171.029896	164.7
[M+Na-2H]-	132.990711	122.8
[M]+	112.01549642	117.2
[M]-	112.01659358	117.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe