CID 54675764

Enol-oxaloacetate

Structural Information

Molecular Formula

C₄H₄O₅

SMILES

C(=C(/C(=O)O)\O)\C(=O)O

InChI

InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-

InChIKey

UWYVPFMHMJIBHE-UPHRSURJSA-N

Compound name

(Z)-2-hydroxybut-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 132.00587 Da
Monoisotopic Mass: 0.0
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]+	133.01315	124.4
[M+Na]+	154.99509	131.4
[M+NH4]+	150.03969	128.9
[M+K]+	170.96903	130.7
[M-H]-	130.99859	119.4
[M+Na-2H]-	152.98054	124.3
[M]+	132.00532	123.2
[M]-	132.00642	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe