CID 3767

Isoniazid

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1=CN=CC=C1C(=O)NN
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKey
QRXWMOHMRWLFEY-UHFFFAOYSA-N
Compound name
pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

24430
References

87828
Patents

137.05891 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.4
[M+Na]+ 160.04813 132.4
[M-H]- 136.05163 127.4
[M+NH4]+ 155.09273 144.7
[M+K]+ 176.02207 131.0
[M+H-H2O]+ 120.05617 118.5
[M+HCOO]- 182.05711 150.5
[M+CH3COO]- 196.07276 175.2
[M+Na-2H]- 158.03358 133.6
[M]+ 137.05836 122.2
[M]- 137.05946 122.2
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

No patent data available for this compound.