CID 79350

1-acetyl-2-imidazolidinone

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

CC(=O)N1CCNC1=O

InChI

InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)

InChIKey

JJWACYUTERPMBM-UHFFFAOYSA-N

Compound name

1-acetylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 336
Patents: 128.05858 Da
Monoisotopic Mass: -0.9
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]+	129.065856	125.3
[M+Na]+	151.047798	133.1
[M-H]-	127.051304	124.9
[M+NH4]+	146.092403	145.8
[M+K]+	167.021738	132.2
[M+H-H2O]+	111.055840	119.2
[M+HCOO]-	173.056781	144.7
[M+CH3COO]-	187.072431	166.4
[M+Na-2H]-	149.033246	128.7
[M]+	128.05803142	121.8
[M]-	128.05912858	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe