CID 171647

Pyrazinamide methiodide

Structural Information

Molecular Formula
C6H8N3O
SMILES
C[N+]1=CC(=NC=C1)C(=O)N
InChI
InChI=1S/C6H7N3O/c1-9-3-2-8-5(4-9)6(7)10/h2-4H,1H3,(H-,7,10)/p+1
InChIKey
QIPHYZXWISZMOL-UHFFFAOYSA-O
Compound name
4-methylpyrazin-4-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

138.06674 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07402 125.4
[M+Na]+ 161.05596 134.2
[M-H]- 137.05946 126.8
[M+NH4]+ 156.10056 143.8
[M+K]+ 177.02990 127.3
[M+H-H2O]+ 121.06400 121.3
[M+HCOO]- 183.06494 148.0
[M+CH3COO]- 197.08059 167.9
[M+Na-2H]- 159.04141 135.2
[M]+ 138.06619 122.7
[M]- 138.06729 122.7
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.