CID 548803

4-amino-3-nitropyridine

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

C1=CN=CC(=C1N)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7)

InChIKey

IUPPEELMBOPLDJ-UHFFFAOYSA-N

Compound name

3-nitropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 482
Patents: 139.03818 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]+	140.04546	122.0
[M+Na]+	162.02740	134.9
[M+NH4]+	157.07200	130.2
[M+K]+	178.00134	132.4
[M-H]-	138.03090	125.2
[M+Na-2H]-	160.01285	129.2
[M]+	139.03763	124.5
[M]-	139.03873	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe