CID 21600

5,5-diethylhydantoin

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CCC1(C(=O)NC(=O)N1)CC

InChI

InChI=1S/C7H12N2O2/c1-3-7(4-2)5(10)8-6(11)9-7/h3-4H2,1-2H3,(H2,8,9,10,11)

InChIKey

GWTZZUPJEUZZLU-UHFFFAOYSA-N

Compound name

5,5-diethylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 172
Patents: 156.08987 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]+	157.09715	132.7
[M+Na]+	179.07909	141.3
[M-H]-	155.08259	131.1
[M+NH4]+	174.12369	153.7
[M+K]+	195.05303	138.6
[M+H-H2O]+	139.08713	127.7
[M+HCOO]-	201.08807	151.0
[M+CH3COO]-	215.10372	170.4
[M+Na-2H]-	177.06454	136.5
[M]+	156.08932	129.6
[M]-	156.09042	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe