CID 57558

N-p-anisyl-1-aziridinepropionamide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

COC1=CC=C(C=C1)NC(=O)CCN2CC2

InChI

InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)13-12(15)6-7-14-8-9-14/h2-5H,6-9H2,1H3,(H,13,15)

InChIKey

DJPJFFFRGDGSFT-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)-N-(4-methoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.12119 Da
Monoisotopic Mass: 0.8
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]+	221.128466	150.8
[M+Na]+	243.110408	159.0
[M-H]-	219.113914	156.9
[M+NH4]+	238.155013	162.9
[M+K]+	259.084348	155.6
[M+H-H2O]+	203.118450	142.9
[M+HCOO]-	265.119391	174.4
[M+CH3COO]-	279.135041	193.7
[M+Na-2H]-	241.095856	156.2
[M]+	220.12064142	154.5
[M]-	220.12173858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.