CID 70510

1007-18-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

49
References

138
Patents

152.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 128.4
[M+Na]+ 175.04780 136.7
[M-H]- 151.05130 129.9
[M+NH4]+ 170.09240 147.3
[M+K]+ 191.02174 134.4
[M+H-H2O]+ 135.05584 122.2
[M+HCOO]- 197.05678 151.7
[M+CH3COO]- 211.07243 173.8
[M+Na-2H]- 173.03325 135.6
[M]+ 152.05803 126.6
[M]- 152.05913 126.6
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