CID 114663

13643-42-0

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CC=CC(=O)NCCN1CCNC1=O

InChI

InChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)

InChIKey

VCBCPCANDXGMPG-UHFFFAOYSA-N

Compound name

N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.11642 Da
Monoisotopic Mass: -0.5
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]+	198.123696	146.2
[M+Na]+	220.105638	151.7
[M-H]-	196.109144	145.0
[M+NH4]+	215.150243	163.4
[M+K]+	236.079578	149.0
[M+H-H2O]+	180.113680	138.8
[M+HCOO]-	242.114621	165.5
[M+CH3COO]-	256.130271	181.9
[M+Na-2H]-	218.091086	147.9
[M]+	197.11587142	142.6
[M]-	197.11696858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.