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]+ 173.037926 135.1
[M+Na]+ 195.019868 143.3
[M-H]- 171.023374 137.2
[M+NH4]+ 190.064473 155.9
[M+K]+ 210.993808 140.9
[M+H-H2O]+ 155.027910 129.5
[M+HCOO]- 217.028851 152.1
[M+CH3COO]- 231.044501 178.3
[M+Na-2H]- 193.005316 134.1
[M]+ 172.03010142 133.7
[M]- 172.03119858 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.