CID 83281

13269-19-7

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

C1=CC(=C(N=C1)[N+](=O)[O-])N

InChI

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

InChIKey

GZBKVUGZEAJYHH-UHFFFAOYSA-N

Compound name

2-nitropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 521
Patents: 139.03818 Da
Monoisotopic Mass: 0.9
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	121.8
[M+Na]+	162.02740	129.8
[M-H]-	138.03090	124.3
[M+NH4]+	157.07200	140.8
[M+K]+	178.00134	124.6
[M+H-H2O]+	122.03544	120.1
[M+HCOO]-	184.03638	148.1
[M+CH3COO]-	198.05203	168.1
[M+Na-2H]-	160.01285	131.9
[M]+	139.03763	118.3
[M]-	139.03873	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe