CID 720241

31659-42-4

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C1CN=C(N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)

InChIKey

YSCJJOXSVFNSPY-UHFFFAOYSA-N

Compound name

2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92
Patents: 191.06947 Da
Monoisotopic Mass: 0.7
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]+	192.07675	137.7
[M+Na]+	214.05869	150.5
[M+NH4]+	209.10329	145.5
[M+K]+	230.03263	149.1
[M-H]-	190.06219	141.1
[M+Na-2H]-	212.04414	145.0
[M]+	191.06892	140.2
[M]-	191.07002	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe