CID 16757543

3-(n-formyl)-formiminopyruvate

Structural Information

Molecular Formula
C5H5NO4
SMILES
C(=CNC=O)C(=O)C(=O)O
InChI
InChI=1S/C5H5NO4/c7-3-6-2-1-4(8)5(9)10/h1-3H,(H,6,7)(H,9,10)
InChIKey
RDXCTXXZQLFWIH-UHFFFAOYSA-N
Compound name
4-formamido-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

143.02185 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 125.3
[M+Na]+ 166.01107 132.3
[M-H]- 142.01457 124.4
[M+NH4]+ 161.05567 145.4
[M+K]+ 181.98501 131.7
[M+H-H2O]+ 126.01911 120.5
[M+HCOO]- 188.02005 148.7
[M+CH3COO]- 202.03570 171.8
[M+Na-2H]- 163.99652 130.1
[M]+ 143.02130 125.0
[M]- 143.02240 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.