CID 16757545

3-formiminopyruvate

Structural Information

Molecular Formula
C4H5NO3
SMILES
C(C=N)C(=O)C(=O)O
InChI
InChI=1S/C4H5NO3/c5-2-1-3(6)4(7)8/h2,5H,1H2,(H,7,8)
InChIKey
AHTJUEXRQQZHSF-UHFFFAOYSA-N
Compound name
4-imino-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

115.02694 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.034216 119.5
[M+Na]+ 138.016158 126.6
[M-H]- 114.019664 118.8
[M+NH4]+ 133.060763 140.8
[M+K]+ 153.990098 126.4
[M+H-H2O]+ 98.024200 115.1
[M+HCOO]- 160.025141 142.8
[M+CH3COO]- 174.040791 168.2
[M+Na-2H]- 136.001606 124.8
[M]+ 115.02639142 118.2
[M]- 115.02748858 118.2
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

patents stripe