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

7
Annotation Hits: 35
References: 31741
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]+	131.033886	123.5
[M+Na]+	153.015828	130.7
[M-H]-	129.019334	121.3
[M+NH4]+	148.060433	143.9
[M+K]+	168.989768	129.8
[M+H-H2O]+	113.023870	119.4
[M+HCOO]-	175.024811	144.2
[M+CH3COO]-	189.040461	165.2
[M+Na-2H]-	151.001276	127.6
[M]+	130.02606142	122.9
[M]-	130.02715858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe