CID 5366084

Methoxymaleic acid

Structural Information

Molecular Formula

C₅H₆O₅

SMILES

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

InChI

InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

InChIKey

AHJCDQGRYVBQQZ-NSCUHMNNSA-N

Compound name

(E)-2-methoxybut-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 146.02153 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]+	147.02881	125.9
[M+Na]+	169.01075	132.8
[M-H]-	145.01425	123.7
[M+NH4]+	164.05535	145.5
[M+K]+	184.98469	133.0
[M+H-H2O]+	129.01879	121.7
[M+HCOO]-	191.01973	145.8
[M+CH3COO]-	205.03538	168.3
[M+Na-2H]-	166.99620	128.8
[M]+	146.02098	126.1
[M]-	146.02208	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe