CID 52158

73680-88-3

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC1CN1C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN2O/c1-7-6-13(7)10(14)12-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,14)

InChIKey

ZJGOYMMOGQYIFU-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-methylaziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.05598 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]+	211.063256	143.3
[M+Na]+	233.045198	153.8
[M-H]-	209.048704	149.7
[M+NH4]+	228.089803	157.0
[M+K]+	249.019138	148.8
[M+H-H2O]+	193.053240	136.7
[M+HCOO]-	255.054181	162.8
[M+CH3COO]-	269.069831	190.0
[M+Na-2H]-	231.030646	148.6
[M]+	210.05543142	147.0
[M]-	210.05652858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.