CID 120131

29097-12-9

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCN1C(=O)C=C(C(=C1O)C(=O)N)C
InChI
InChI=1S/C9H12N2O3/c1-3-11-6(12)4-5(2)7(8(10)13)9(11)14/h4,14H,3H2,1-2H3,(H2,10,13)
InChIKey
QAQSNXHKHKONNS-UHFFFAOYSA-N
Compound name
1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8787
Patents

196.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 139.8
[M+Na]+ 219.074018 149.8
[M-H]- 195.077524 141.6
[M+NH4]+ 214.118623 157.5
[M+K]+ 235.047958 147.4
[M+H-H2O]+ 179.082060 133.8
[M+HCOO]- 241.083001 162.0
[M+CH3COO]- 255.098651 185.9
[M+Na-2H]- 217.059466 142.7
[M]+ 196.08425142 140.5
[M]- 196.08534858 140.5
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

patents stripe