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]+ 161.03793 132.1
[M+Na]+ 183.01987 139.7
[M-H]- 159.02337 134.7
[M+NH4]+ 178.06447 152.0
[M+K]+ 198.99381 139.1
[M+H-H2O]+ 143.02791 126.4
[M+HCOO]- 205.02885 148.5
[M+CH3COO]- 219.04450 174.9
[M+Na-2H]- 181.00532 133.0
[M]+ 160.03010 131.1
[M]- 160.03120 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.