CID 81456

Pyridine-2-carboxamide 1-oxide

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC=[N+](C(=C1)C(=O)N)[O-]
InChI
InChI=1S/C6H6N2O2/c7-6(9)5-3-1-2-4-8(5)10/h1-4H,(H2,7,9)
InChIKey
XKWOLIYQEGUHBU-UHFFFAOYSA-N
Compound name
1-oxidopyridin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

138.04292 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 123.8
[M+Na]+ 161.032138 132.0
[M-H]- 137.035644 124.9
[M+NH4]+ 156.076743 142.6
[M+K]+ 177.006078 125.6
[M+H-H2O]+ 121.040180 122.7
[M+HCOO]- 183.041121 147.3
[M+CH3COO]- 197.056771 163.7
[M+Na-2H]- 159.017586 132.4
[M]+ 138.04237142 119.6
[M]- 138.04346858 119.6
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.