CID 99167

3426-28-6

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C=CC=NNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O2/c1-2-7-10-11-8-3-5-9(6-4-8)12(13)14/h2-7,11H,1H2

InChIKey

HDHSVDQIXIKIDQ-UHFFFAOYSA-N

Compound name

4-nitro-N-(prop-2-enylideneamino)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.06947 Da
Monoisotopic Mass: 2.3
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]+	192.07675	139.0
[M+Na]+	214.05869	150.9
[M+NH4]+	209.10329	146.7
[M+K]+	230.03263	146.8
[M-H]-	190.06219	143.3
[M+Na-2H]-	212.04414	146.0
[M]+	191.06892	141.5
[M]-	191.07002	141.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.