CID 61058038

1,1-dioxo-1lambda6-thiolane-3-carbothioamide

Structural Information

Molecular Formula
C5H9NO2S2
SMILES
C1CS(=O)(=O)CC1C(=S)N
InChI
InChI=1S/C5H9NO2S2/c6-5(9)4-1-2-10(7,8)3-4/h4H,1-3H2,(H2,6,9)
InChIKey
FZBZEMBZFXEKRN-UHFFFAOYSA-N
Compound name
1,1-dioxothiolane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.00748 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.01476 133.8
[M+Na]+ 201.99670 142.0
[M-H]- 178.00020 136.7
[M+NH4]+ 197.04130 157.3
[M+K]+ 217.97064 138.7
[M+H-H2O]+ 162.00474 129.9
[M+HCOO]- 224.00568 146.2
[M+CH3COO]- 238.02133 176.2
[M+Na-2H]- 199.98215 133.7
[M]+ 179.00693 132.5
[M]- 179.00803 132.5
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.