CID 25306972

Methyl 5-bromo-2-hydroxyisonicotinate

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

COC(=O)C1=CC(=O)NC=C1Br

InChI

InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,1H3,(H,9,10)

InChIKey

XOMMLGBSSAVOET-UHFFFAOYSA-N

Compound name

methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 230.95311 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.96039	137.3
[M+Na]+	253.94233	140.5
[M+NH4]+	248.98693	140.7
[M+K]+	269.91627	141.9
[M-H]-	229.94583	135.9
[M+Na-2H]-	251.92778	139.9
[M]+	230.95256	136.0
[M]-	230.95366	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe