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
1
Annotation Hits

1
References

7
Patents

115.02694 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 121.4
[M+Na]+ 138.01616 129.5
[M+NH4]+ 133.06076 127.4
[M+K]+ 153.99010 126.7
[M-H]- 114.01966 119.0
[M+Na-2H]- 136.00161 123.5
[M]+ 115.02639 121.2
[M]- 115.02749 121.2
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