CID 19281

3647-22-1

Structural Information

Molecular Formula

C₉H₉N₃O₃

SMILES

C1CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O3/c13-9(11-5-6-11)10-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,10,13)

InChIKey

DFLQWHHEKWANDH-UHFFFAOYSA-N

Compound name

N-(4-nitrophenyl)aziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.06439 Da
Monoisotopic Mass: 1.4
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]+	208.07167	145.4
[M+Na]+	230.05361	158.6
[M+NH4]+	225.09821	153.2
[M+K]+	246.02755	157.2
[M-H]-	206.05711	155.9
[M+Na-2H]-	228.03906	154.4
[M]+	207.06384	151.0
[M]-	207.06494	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe