CID 53423827

1292765-17-3

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

C1=C(C=NC(=C1N)Br)C(=O)O

InChI

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

InChIKey

NWJYTSSWRMRXRL-UHFFFAOYSA-N

Compound name

5-amino-6-bromopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 215.95345 Da
Monoisotopic Mass: 0.7
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]+	216.960726	133.6
[M+Na]+	238.942668	145.6
[M-H]-	214.946174	137.5
[M+NH4]+	233.987273	153.4
[M+K]+	254.916608	134.4
[M+H-H2O]+	198.950710	133.0
[M+HCOO]-	260.951651	153.8
[M+CH3COO]-	274.967301	183.4
[M+Na-2H]-	236.928116	140.5
[M]+	215.95290142	150.2
[M]-	215.95399858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe