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
8
Annotation Hits

5187
References

38532
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 121.5
[M+Na]+ 146.03248 133.5
[M+NH4]+ 141.07708 129.1
[M+K]+ 162.00642 128.7
[M-H]- 122.03598 122.4
[M+Na-2H]- 144.01793 128.7
[M]+ 123.04271 123.2
[M]- 123.04381 123.2
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