CID 69698

701-44-0

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CN1C=C(C=CC1=O)C(=O)N
InChI
InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
InChIKey
JLQSXXWTCJPCBC-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

54
References

419
Patents

152.05858 Da
Monoisotopic Mass

-1.0
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

literature stripe

Patent stripe

patents stripe