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]+ 184.060436 132.6
[M+Na]+ 206.042378 142.9
[M-H]- 182.045884 134.7
[M+NH4]+ 201.086983 151.1
[M+K]+ 222.016318 141.7
[M+H-H2O]+ 166.050420 126.8
[M+HCOO]- 228.051361 155.0
[M+CH3COO]- 242.067011 179.3
[M+Na-2H]- 204.027826 137.7
[M]+ 183.05261142 135.8
[M]- 183.05370858 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.