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

53
Patents

146.02153 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.028806 125.9
[M+Na]+ 169.010748 132.8
[M-H]- 145.014254 123.7
[M+NH4]+ 164.055353 145.5
[M+K]+ 184.984688 133.0
[M+H-H2O]+ 129.018790 121.7
[M+HCOO]- 191.019731 145.8
[M+CH3COO]- 205.035381 168.3
[M+Na-2H]- 166.996196 128.8
[M]+ 146.02098142 126.1
[M]- 146.02207858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe