CID 19280

3647-20-9

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

C1CN1C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13)

InChIKey

SITOMVXCTAPIHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 196.04034 Da
Monoisotopic Mass: 1.9
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]+	197.04762	139.6
[M+Na]+	219.02956	154.0
[M+NH4]+	214.07416	148.8
[M+K]+	235.00350	148.8
[M-H]-	195.03306	149.6
[M+Na-2H]-	217.01501	150.1
[M]+	196.03979	145.8
[M]-	196.04089	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe