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 135.1
[M+Na]+ 195.01987 143.3
[M-H]- 171.02337 137.2
[M+NH4]+ 190.06447 155.9
[M+K]+ 210.99381 140.9
[M+H-H2O]+ 155.02791 129.5
[M+HCOO]- 217.02885 152.1
[M+CH3COO]- 231.04450 178.3
[M+Na-2H]- 193.00532 134.1
[M]+ 172.03010 133.7
[M]- 172.03120 133.7
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.