CID 24694979

2-(2,5-dioxopyrrolidin-1-yl)ethanethioamide

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1CC(=O)N(C1=O)CC(=S)N
InChI
InChI=1S/C6H8N2O2S/c7-4(11)3-8-5(9)1-2-6(8)10/h1-3H2,(H2,7,11)
InChIKey
FNPDFPODHFYVIM-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03065 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 137.5
[M+Na]+ 195.01987 145.2
[M+NH4]+ 190.06447 144.3
[M+K]+ 210.99381 141.2
[M-H]- 171.02337 137.0
[M+Na-2H]- 193.00532 138.9
[M]+ 172.03010 138.3
[M]- 172.03120 138.3
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.