CID 5359563

Isoniazid pyruvate

Structural Information

Molecular Formula
C9H9N3O3
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+
InChIKey
ZGGPNDKKJIWQJU-IZZDOVSWSA-N
Compound name
(2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

39
Patents

207.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 143.9
[M+Na]+ 230.05361 152.6
[M+NH4]+ 225.09821 149.2
[M+K]+ 246.02755 149.4
[M-H]- 206.05711 143.9
[M+Na-2H]- 228.03906 148.7
[M]+ 207.06384 144.5
[M]- 207.06494 144.5
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

No patent data available for this compound.