CID 21560644

3-amino-5-chloro-2-hydroxypyridine

Structural Information

Molecular Formula

C₅H₅ClN₂O

SMILES

C1=C(C(=O)NC=C1Cl)N

InChI

InChI=1S/C5H5ClN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)

InChIKey

VXZVNWIPIHJGQJ-UHFFFAOYSA-N

Compound name

3-amino-5-chloro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 144.00903 Da
Monoisotopic Mass: 0.1
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]+	145.016306	123.2
[M+Na]+	166.998248	134.0
[M-H]-	143.001754	124.5
[M+NH4]+	162.042853	143.5
[M+K]+	182.972188	129.6
[M+H-H2O]+	127.006290	118.6
[M+HCOO]-	189.007231	142.5
[M+CH3COO]-	203.022881	170.7
[M+Na-2H]-	164.983696	130.4
[M]+	144.00848142	122.0
[M]-	144.00957858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe