CID 60204210

5-bromo-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
CN1C=C(C(=O)C(=C1)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO3/c1-9-2-4(7(11)12)6(10)5(8)3-9/h2-3H,1H3,(H,11,12)
InChIKey
MPMJHIJNSWILNZ-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.95311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 136.9
[M+Na]+ 253.94233 140.3
[M+NH4]+ 248.98693 140.2
[M+K]+ 269.91627 142.0
[M-H]- 229.94583 135.6
[M+Na-2H]- 251.92778 139.3
[M]+ 230.95256 135.6
[M]- 230.95366 135.6
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