CID 1046

Pyrazinamide

Structural Information

Molecular Formula
C5H5N3O
SMILES
C1=CN=C(C=N1)C(=O)N
InChI
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey
IPEHBUMCGVEMRF-UHFFFAOYSA-N
Compound name
pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5204
References

41298
Patents

123.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 121.4
[M+Na]+ 146.03248 129.8
[M-H]- 122.03598 122.2
[M+NH4]+ 141.07708 140.3
[M+K]+ 162.00642 128.5
[M+H-H2O]+ 106.04052 114.3
[M+HCOO]- 168.04146 144.5
[M+CH3COO]- 182.05711 170.7
[M+Na-2H]- 144.01793 130.0
[M]+ 123.04271 119.2
[M]- 123.04381 119.2
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.