CID 14123

Isoniazid pyruvate

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC(=NNC(=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)
InChIKey
ZGGPNDKKJIWQJU-UHFFFAOYSA-N
Compound name
2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

40
Patents

207.06439 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 143.0
[M+Na]+ 230.053608 148.7
[M-H]- 206.057114 145.4
[M+NH4]+ 225.098213 159.4
[M+K]+ 246.027548 147.9
[M+H-H2O]+ 190.061650 135.5
[M+HCOO]- 252.062591 166.7
[M+CH3COO]- 266.078241 188.7
[M+Na-2H]- 228.039056 148.4
[M]+ 207.06384142 142.0
[M]- 207.06493858 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