CID 28395516

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

Structural Information

Molecular Formula
C6H10N2O2S
SMILES
C1COC(=O)N1CCC(=S)N
InChI
InChI=1S/C6H10N2O2S/c7-5(11)1-2-8-3-4-10-6(8)9/h1-4H2,(H2,7,11)
InChIKey
SULKXIVKCYZPHN-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-oxazolidin-3-yl)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0463 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.053576 136.6
[M+Na]+ 197.035518 143.7
[M-H]- 173.039024 139.0
[M+NH4]+ 192.080123 155.9
[M+K]+ 213.009458 142.8
[M+H-H2O]+ 157.043560 130.6
[M+HCOO]- 219.044501 152.6
[M+CH3COO]- 233.060151 178.0
[M+Na-2H]- 195.020966 137.0
[M]+ 174.04575142 135.9
[M]- 174.04684858 135.9
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.