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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 140.8
[M+Na]+ 211.05117 148.4
[M-H]- 187.05467 143.4
[M+NH4]+ 206.09577 159.8
[M+K]+ 227.02511 147.2
[M+H-H2O]+ 171.05921 135.0
[M+HCOO]- 233.06015 156.5
[M+CH3COO]- 247.07580 182.2
[M+Na-2H]- 209.03662 140.1
[M]+ 188.06140 140.9
[M]- 188.06250 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.