CID 5280498

Glutaconic acid

Structural Information

Molecular Formula

C₅H₆O₄

SMILES

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

InChI

InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+

InChIKey

XVOUMQNXTGKGMA-OWOJBTEDSA-N

Compound name

(E)-pent-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 35
References: 32931
Patents: 130.02661 Da
Monoisotopic Mass: -0.3
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]+	131.03389	123.5
[M+Na]+	153.01583	130.7
[M-H]-	129.01933	121.3
[M+NH4]+	148.06043	143.9
[M+K]+	168.98977	129.8
[M+H-H2O]+	113.02387	119.4
[M+HCOO]-	175.02481	144.2
[M+CH3COO]-	189.04046	165.2
[M+Na-2H]-	151.00128	127.6
[M]+	130.02606	122.9
[M]-	130.02716	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe