CID 440810

769-49-3

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CN1C=CC(=O)C(=C1)C(=O)N
InChI
InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)
InChIKey
KTLRWTOPTKGYQY-UHFFFAOYSA-N
Compound name
1-methyl-4-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

250
Patents

152.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.6
[M+Na]+ 175.04780 137.2
[M-H]- 151.05130 130.3
[M+NH4]+ 170.09240 147.2
[M+K]+ 191.02174 135.5
[M+H-H2O]+ 135.05584 121.4
[M+HCOO]- 197.05678 151.8
[M+CH3COO]- 211.07243 177.6
[M+Na-2H]- 173.03325 133.5
[M]+ 152.05803 127.1
[M]- 152.05913 127.1
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.