CID 67338255

5-bromo-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

230.95311 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 133.7
[M+Na]+ 253.94233 147.2
[M-H]- 229.94583 138.4
[M+NH4]+ 248.98693 153.8
[M+K]+ 269.91627 136.5
[M+H-H2O]+ 213.95037 133.8
[M+HCOO]- 275.95131 153.7
[M+CH3COO]- 289.96696 184.6
[M+Na-2H]- 251.92778 140.4
[M]+ 230.95256 153.4
[M]- 230.95366 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