CID 86775619

1-amino-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

Structural Information

Molecular Formula

C₅H₈F₃N₃O

SMILES

C1CN(C(=O)N1CC(F)(F)F)N

InChI

InChI=1S/C5H8F3N3O/c6-5(7,8)3-10-1-2-11(9)4(10)12/h1-3,9H2

InChIKey

FFWAMDCYSPPCGG-UHFFFAOYSA-N

Compound name

1-amino-3-(2,2,2-trifluoroethyl)imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 183.06195 Da
Monoisotopic Mass: -0.1
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]+	184.06923	133.7
[M+Na]+	206.05117	142.4
[M-H]-	182.05467	130.5
[M+NH4]+	201.09577	152.3
[M+K]+	222.02511	140.6
[M+H-H2O]+	166.05921	124.9
[M+HCOO]-	228.06015	150.8
[M+CH3COO]-	242.07580	181.0
[M+Na-2H]-	204.03662	136.5
[M]+	183.06140	126.5
[M]-	183.06250	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe