CID 19277

3647-16-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

COC1=CC=CC=C1NC(=O)N2CC2

InChI

InChI=1S/C10H12N2O2/c1-14-9-5-3-2-4-8(9)11-10(13)12-6-7-12/h2-5H,6-7H2,1H3,(H,11,13)

InChIKey

REOFILVLNKDTRH-UHFFFAOYSA-N

Compound name

N-(2-methoxyphenyl)aziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.08987 Da
Monoisotopic Mass: 0.9
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]+	193.09715	142.7
[M+Na]+	215.07909	151.8
[M-H]-	191.08259	149.1
[M+NH4]+	210.12369	156.0
[M+K]+	231.05303	148.9
[M+H-H2O]+	175.08713	135.1
[M+HCOO]-	237.08807	166.9
[M+CH3COO]-	251.10372	187.3
[M+Na-2H]-	213.06454	149.1
[M]+	192.08932	145.6
[M]-	192.09042	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe