CID 3075144

4-ethyl-2-oxo-3-oxazolidineethanethioamide

Structural Information

Molecular Formula

C₇H₁₂N₂O₂S

SMILES

CCC1COC(=O)N1CC(=S)N

InChI

InChI=1S/C7H12N2O2S/c1-2-5-4-11-7(10)9(5)3-6(8)12/h5H,2-4H2,1H3,(H2,8,12)

InChIKey

AKFDHLPACSNPQT-UHFFFAOYSA-N

Compound name

2-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.06195 Da
Monoisotopic Mass: 0.4
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]+	189.06923	142.4
[M+Na]+	211.05117	150.3
[M+NH4]+	206.09577	149.3
[M+K]+	227.02511	146.4
[M-H]-	187.05467	143.5
[M+Na-2H]-	209.03662	143.2
[M]+	188.06140	143.8
[M]-	188.06250	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.