CID 2763337

Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
COC(=O)C1=CC(=CNC1=O)Br
InChI
InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChIKey
TXZVFXMZHYRSDN-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

230.95311 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 134.7
[M+Na]+ 253.94233 147.5
[M-H]- 229.94583 139.1
[M+NH4]+ 248.98693 154.6
[M+K]+ 269.91627 136.7
[M+H-H2O]+ 213.95037 134.7
[M+HCOO]- 275.95131 154.7
[M+CH3COO]- 289.96696 182.8
[M+Na-2H]- 251.92778 142.0
[M]+ 230.95256 154.0
[M]- 230.95366 154.0
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