CID 20469721

3-(2-bromoethyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula

C₅H₇BrN₂O₂

SMILES

C1C(=O)N(C(=O)N1)CCBr

InChI

InChI=1S/C5H7BrN2O2/c6-1-2-8-4(9)3-7-5(8)10/h1-3H2,(H,7,10)

InChIKey

RCEOGODDAOCYBL-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 205.96909 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]+	206.97637	134.4
[M+Na]+	228.95831	146.5
[M-H]-	204.96181	136.9
[M+NH4]+	224.00291	155.6
[M+K]+	244.93225	135.8
[M+H-H2O]+	188.96635	134.2
[M+HCOO]-	250.96729	152.6
[M+CH3COO]-	264.98294	178.3
[M+Na-2H]-	226.94376	139.6
[M]+	205.96854	150.7
[M]-	205.96964	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe