CID 135886619

2-oxopenta-3,4-dienoate

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C=C[CH+]C(=O)C(=O)[O-]

InChI

InChI=1S/C5H4O3/c1-2-3-4(6)5(7)8/h2-3H,1H2

InChIKey

FENSZBJNBBUHJX-UHFFFAOYSA-N

Compound name

2-oxopent-4-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 112.016045 Da
Monoisotopic Mass: 1.1
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]+	113.02332	120.1
[M+Na]+	135.00526	128.1
[M-H]-	111.00877	119.5
[M+NH4]+	130.04987	141.7
[M+K]+	150.97920	123.2
[M+H-H2O]+	95.013305	121.3
[M+HCOO]-	157.01425	142.9
[M+CH3COO]-	171.02990	158.4
[M+Na-2H]-	132.99071	126.6
[M]+	112.01550	118.4
[M]-	112.01659	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe