CID 91548074

Methyl 4-bromo-3-hydroxypyridine-2-carboxylate

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

COC(=O)C1=NC=CC(=C1O)Br

InChI

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

InChIKey

MBQNMLIBPKTDMP-UHFFFAOYSA-N

Compound name

methyl 4-bromo-3-hydroxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.95311 Da
Monoisotopic Mass: 1.9
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	138.2
[M+Na]+	253.94233	141.3
[M+NH4]+	248.98693	141.8
[M+K]+	269.91627	142.8
[M-H]-	229.94583	137.0
[M+Na-2H]-	251.92778	140.9
[M]+	230.95256	136.9
[M]-	230.95366	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe