CID 3016040

3-pyridinecarboxamide, 1,2-dihydro-4,6-dimethyl-2-oxo-

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=C(C(=O)N1)C(=O)N)C
InChI
InChI=1S/C8H10N2O2/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)
InChIKey
FVNMEZMALQNFNF-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

13
Patents

166.07423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 132.7
[M+Na]+ 189.063448 142.4
[M-H]- 165.066954 134.3
[M+NH4]+ 184.108053 151.4
[M+K]+ 205.037388 139.6
[M+H-H2O]+ 149.071490 126.9
[M+HCOO]- 211.072431 155.1
[M+CH3COO]- 225.088081 179.4
[M+Na-2H]- 187.048896 136.9
[M]+ 166.07368142 131.2
[M]- 166.07477858 131.2
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