CID 57137779

2-amino-6-bromopyridin-4-ol

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

C1=C(NC(=CC1=O)Br)N

InChI

InChI=1S/C5H5BrN2O/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H3,7,8,9)

InChIKey

RCHUZSKIVLGJNJ-UHFFFAOYSA-N

Compound name

2-amino-6-bromo-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	188.96581	126.4
[M+Na]+	210.94775	139.2
[M-H]-	186.95125	130.4
[M+NH4]+	205.99235	147.5
[M+K]+	226.92169	127.3
[M+H-H2O]+	170.95579	126.2
[M+HCOO]-	232.95673	147.7
[M+CH3COO]-	246.97238	177.8
[M+Na-2H]-	208.93320	135.0
[M]+	187.95798	141.9
[M]-	187.95908	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe