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]+ 231.960386 133.7
[M+Na]+ 253.942328 147.2
[M-H]- 229.945834 138.4
[M+NH4]+ 248.986933 153.8
[M+K]+ 269.916268 136.5
[M+H-H2O]+ 213.950370 133.8
[M+HCOO]- 275.951311 153.7
[M+CH3COO]- 289.966961 184.6
[M+Na-2H]- 251.927776 140.4
[M]+ 230.95256142 153.4
[M]- 230.95365858 153.4
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