CID 3023037

Einecs 300-626-7

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

C=CC(=O)NCOCCN1CCNC1=O

InChI

InChI=1S/C9H15N3O3/c1-2-8(13)11-7-15-6-5-12-4-3-10-9(12)14/h2H,1,3-7H2,(H,10,14)(H,11,13)

InChIKey

XQRRIDDPQBRVFF-UHFFFAOYSA-N

Compound name

N-[2-(2-oxoimidazolidin-1-yl)ethoxymethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.11134 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]+	214.118616	148.1
[M+Na]+	236.100558	153.3
[M-H]-	212.104064	146.9
[M+NH4]+	231.145163	164.5
[M+K]+	252.074498	151.2
[M+H-H2O]+	196.108600	140.5
[M+HCOO]-	258.109541	167.6
[M+CH3COO]-	272.125191	184.7
[M+Na-2H]-	234.086006	150.0
[M]+	213.11079142	146.0
[M]-	213.11188858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe