CID 15669657

1-(prop-2-yn-1-yl)imidazolidin-2-one

Structural Information

Molecular Formula

SMILES

C#CCN1CCNC1=O

InChI

InChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h1H,3-5H2,(H,7,9)

InChIKey

CJTPKXKFJLIBBK-UHFFFAOYSA-N

Compound name

1-prop-2-ynylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 124.06366 Da
Monoisotopic Mass: -0.6
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]+	125.07094	122.9
[M+Na]+	147.05288	132.4
[M-H]-	123.05638	120.8
[M+NH4]+	142.09748	141.0
[M+K]+	163.02682	129.4
[M+H-H2O]+	107.06092	110.1
[M+HCOO]-	169.06186	137.1
[M+CH3COO]-	183.07751	176.1
[M+Na-2H]-	145.03833	126.4
[M]+	124.06311	114.1
[M]-	124.06421	114.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe