CID 21388500

4-methoxy-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC1=CC(=O)NC=C1C(=O)O
InChI
InChI=1S/C7H7NO4/c1-12-5-2-6(9)8-3-4(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKey
DXIKTCXFMVJJCY-UHFFFAOYSA-N
Compound name
4-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

169.0375 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.7
[M+Na]+ 192.02672 139.1
[M-H]- 168.03022 130.1
[M+NH4]+ 187.07132 147.6
[M+K]+ 208.00066 137.1
[M+H-H2O]+ 152.03476 124.0
[M+HCOO]- 214.03570 150.9
[M+CH3COO]- 228.05135 172.5
[M+Na-2H]- 190.01217 135.4
[M]+ 169.03695 130.1
[M]- 169.03805 130.1
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