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

255
Patents

132.00587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.013146 122.3
[M+Na]+ 154.995088 129.2
[M-H]- 130.998594 118.9
[M+NH4]+ 150.039693 141.7
[M+K]+ 170.969028 128.7
[M+H-H2O]+ 115.003130 118.4
[M+HCOO]- 177.004071 141.0
[M+CH3COO]- 191.019721 162.8
[M+Na-2H]- 152.980536 125.1
[M]+ 132.00532142 120.2
[M]- 132.00641858 120.2
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