CID 70734

4-nitropyridine

Structural Information

Molecular Formula

C₅H₄N₂O₂

SMILES

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

InChI

InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H

InChIKey

FEXIEMAAKBNTFK-UHFFFAOYSA-N

Compound name

4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 986
Patents: 124.027275 Da
Monoisotopic Mass: 0.3
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]+	125.034551	118.7
[M+Na]+	147.016493	126.8
[M-H]-	123.019999	121.5
[M+NH4]+	142.061098	138.8
[M+K]+	162.990433	122.1
[M+H-H2O]+	107.024535	117.3
[M+HCOO]-	169.025476	144.6
[M+CH3COO]-	183.041126	163.2
[M+Na-2H]-	145.001941	130.1
[M]+	124.02672642	116.6
[M]-	124.02782358	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe