CID 22754326

1-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
COCCN1C=CC=C(C1=O)C(=O)O
InChI
InChI=1S/C9H11NO4/c1-14-6-5-10-4-2-3-7(8(10)11)9(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
DYTSLVNBEBOIGG-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.0688 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 138.0
[M+Na]+ 220.058018 147.0
[M-H]- 196.061524 139.5
[M+NH4]+ 215.102623 155.6
[M+K]+ 236.031958 145.5
[M+H-H2O]+ 180.066060 131.7
[M+HCOO]- 242.067001 160.1
[M+CH3COO]- 256.082651 181.1
[M+Na-2H]- 218.043466 143.2
[M]+ 197.06825142 141.1
[M]- 197.06934858 141.1
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