CID 11694041

39903-01-0

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

C1=C(C=NC(=C1O)N)Br

InChI

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

InChIKey

YQADLKDQAXAIKW-UHFFFAOYSA-N

Compound name

2-amino-5-bromopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 489
Patents: 187.95853 Da
Monoisotopic Mass: 0.8
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	127.5
[M+Na]+	210.947748	140.0
[M-H]-	186.951254	131.4
[M+NH4]+	205.992353	148.6
[M+K]+	226.921688	128.6
[M+H-H2O]+	170.955790	127.2
[M+HCOO]-	232.956731	148.6
[M+CH3COO]-	246.972381	178.6
[M+Na-2H]-	208.933196	136.1
[M]+	187.95798142	143.6
[M]-	187.95907858	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe