CID 57556

N,n-diethyl-1-aziridinepropionamide

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CCN(CC)C(=O)CCN1CC1

InChI

InChI=1S/C9H18N2O/c1-3-11(4-2)9(12)5-6-10-7-8-10/h3-8H2,1-2H3

InChIKey

CAGFHNOLWPXDGN-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)-N,N-diethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.1419 Da
Monoisotopic Mass: 0.2
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]+	171.149176	143.8
[M+Na]+	193.131118	151.2
[M-H]-	169.134624	148.0
[M+NH4]+	188.175723	158.6
[M+K]+	209.105058	150.0
[M+H-H2O]+	153.139160	136.3
[M+HCOO]-	215.140101	166.8
[M+CH3COO]-	229.155751	189.8
[M+Na-2H]-	191.116566	147.9
[M]+	170.14135142	148.2
[M]-	170.14244858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe