CID 3075143

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

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C1COC(=O)N1CC(=S)N
InChI
InChI=1S/C5H8N2O2S/c6-4(10)3-7-1-2-9-5(7)8/h1-3H2,(H2,6,10)
InChIKey
WHJKRMRYZLBIRT-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-oxazolidin-3-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

160.03065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.037926 132.1
[M+Na]+ 183.019868 139.7
[M-H]- 159.023374 134.7
[M+NH4]+ 178.064473 152.0
[M+K]+ 198.993808 139.1
[M+H-H2O]+ 143.027910 126.4
[M+HCOO]- 205.028851 148.5
[M+CH3COO]- 219.044501 174.9
[M+Na-2H]- 181.005316 133.0
[M]+ 160.03010142 131.1
[M]- 160.03119858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.