CID 5359563

Pyruvic acid isoniazid

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 143.0
[M+Na]+ 230.05361 148.7
[M-H]- 206.05711 145.4
[M+NH4]+ 225.09821 159.4
[M+K]+ 246.02755 147.9
[M+H-H2O]+ 190.06165 135.5
[M+HCOO]- 252.06259 166.7
[M+CH3COO]- 266.07824 188.7
[M+Na-2H]- 228.03906 148.4
[M]+ 207.06384 142.0
[M]- 207.06494 142.0
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