CID 102260

C7h8o4

Structural Information

Molecular Formula

C₇H₈O₄

SMILES

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

InChI

InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)

InChIKey

PEKZMKOVRVVTTN-UHFFFAOYSA-N

Compound name

4-oxo-4-prop-2-enoxybut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4702
Patents: 156.04225 Da
Monoisotopic Mass: 0.5
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]+	157.04953	132.9
[M+Na]+	179.03147	141.4
[M+NH4]+	174.07607	138.1
[M+K]+	195.00541	137.8
[M-H]-	155.03497	129.4
[M+Na-2H]-	177.01692	134.1
[M]+	156.04170	132.5
[M]-	156.04280	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe