CID 21530476

5-amino-2-bromoisonicotinic acid

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

C1=C(C(=CN=C1Br)N)C(=O)O

InChI

InChI=1S/C6H5BrN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)

InChIKey

TZANKVNNHOWWKK-UHFFFAOYSA-N

Compound name

5-amino-2-bromopyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 215.95345 Da
Monoisotopic Mass: 1.3
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]+	216.96073	135.6
[M+Na]+	238.94267	137.9
[M+NH4]+	233.98727	139.2
[M+K]+	254.91661	139.7
[M-H]-	214.94617	134.9
[M+Na-2H]-	236.92812	138.2
[M]+	215.95290	134.3
[M]-	215.95400	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe