CID 53430766

5-bromo-6-hydroxy-2-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
CC1=C(C=C(C(=O)N1)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO3/c1-3-4(7(11)12)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKey
SHLGKKPQUWEIDI-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.0
[M+Na]+ 253.94233 148.0
[M-H]- 229.94583 138.4
[M+NH4]+ 248.98693 154.4
[M+K]+ 269.91627 136.4
[M+H-H2O]+ 213.95037 135.2
[M+HCOO]- 275.95131 153.5
[M+CH3COO]- 289.96696 182.2
[M+Na-2H]- 251.92778 141.1
[M]+ 230.95256 152.9
[M]- 230.95366 152.9
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