CID 69559789

1256806-39-9

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

C1=C(C(=C(C=N1)Br)C(=O)O)N

InChI

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

InChIKey

ICWQHQLOJAZOCD-UHFFFAOYSA-N

Compound name

3-amino-5-bromopyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.95345 Da
Monoisotopic Mass: 0.9
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]+	216.96073	133.6
[M+Na]+	238.94267	145.6
[M-H]-	214.94617	137.5
[M+NH4]+	233.98727	153.4
[M+K]+	254.91661	134.4
[M+H-H2O]+	198.95071	133.0
[M+HCOO]-	260.95165	153.8
[M+CH3COO]-	274.96730	183.4
[M+Na-2H]-	236.92812	140.5
[M]+	215.95290	150.2
[M]-	215.95400	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe