CID 15062116

3-amino-6-bromopyridin-2-ol

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

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

InChI

InChI=1S/C5H5BrN2O/c6-4-2-1-3(7)5(9)8-4/h1-2H,7H2,(H,8,9)

InChIKey

LZRLRVOCGGIDBL-UHFFFAOYSA-N

Compound name

3-amino-6-bromo-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 187.95853 Da
Monoisotopic Mass: 0.6
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]+	188.965806	126.4
[M+Na]+	210.947748	139.2
[M-H]-	186.951254	130.4
[M+NH4]+	205.992353	147.5
[M+K]+	226.921688	127.3
[M+H-H2O]+	170.955790	126.2
[M+HCOO]-	232.956731	147.7
[M+CH3COO]-	246.972381	177.8
[M+Na-2H]-	208.933196	135.0
[M]+	187.95798142	141.9
[M]-	187.95907858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe