CID 15269106

5-methoxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
CN1C=C(C=C(C1=O)OC)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-9-4-5(8(11)12)3-6(13-2)7(9)10/h3-4H,1-2H3,(H,11,12)
InChIKey
RDLWRAOPPRQBOM-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 132.6
[M+Na]+ 206.04238 142.9
[M-H]- 182.04588 134.7
[M+NH4]+ 201.08698 151.1
[M+K]+ 222.01632 141.7
[M+H-H2O]+ 166.05042 126.8
[M+HCOO]- 228.05136 155.0
[M+CH3COO]- 242.06701 179.3
[M+Na-2H]- 204.02783 137.7
[M]+ 183.05261 135.8
[M]- 183.05371 135.8
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.