CID 165770271

1-methyl-3-[2-(methylsulfanyl)ethyl]imidazolidin-2-one

Structural Information

Molecular Formula

C₇H₁₄N₂OS

SMILES

CN1CCN(C1=O)CCSC

InChI

InChI=1S/C7H14N2OS/c1-8-3-4-9(7(8)10)5-6-11-2/h3-6H2,1-2H3

InChIKey

DGZYBCGNIOCUNG-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-methylsulfanylethyl)imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.08269 Da
Monoisotopic Mass: 0.2
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]+	175.089966	137.4
[M+Na]+	197.071908	146.1
[M-H]-	173.075414	138.5
[M+NH4]+	192.116513	157.9
[M+K]+	213.045848	144.4
[M+H-H2O]+	157.079950	131.2
[M+HCOO]-	219.080891	153.1
[M+CH3COO]-	233.096541	178.8
[M+Na-2H]-	195.057356	137.2
[M]+	174.08214142	139.3
[M]-	174.08323858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.