CID 21908

Methetoin

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCC1(C(=O)NC(=O)N1C)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)

InChIKey

NEGMMKYAVYNLCG-UHFFFAOYSA-N

Compound name

5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1456
Patents: 218.10553 Da
Monoisotopic Mass: 1.5
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]+	219.11281	149.6
[M+Na]+	241.09475	161.5
[M+NH4]+	236.13935	157.9
[M+K]+	257.06869	155.5
[M-H]-	217.09825	150.8
[M+Na-2H]-	239.08020	156.3
[M]+	218.10498	151.5
[M]-	218.10608	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe