CID 667665

2-thioxo-1-pyrrolidinethioacetamide

Structural Information

Molecular Formula
C6H10N2S2
SMILES
C1CC(=S)N(C1)CC(=S)N
InChI
InChI=1S/C6H10N2S2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)
InChIKey
FVNHMHXOHPFMNY-UHFFFAOYSA-N
Compound name
2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

174.02853 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03581 135.4
[M+Na]+ 197.01775 142.9
[M-H]- 173.02125 136.9
[M+NH4]+ 192.06235 156.2
[M+K]+ 212.99169 138.9
[M+H-H2O]+ 157.02579 129.7
[M+HCOO]- 219.02673 145.9
[M+CH3COO]- 233.04238 178.9
[M+Na-2H]- 195.00320 132.6
[M]+ 174.02798 132.5
[M]- 174.02908 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

literature stripe

Patent stripe

patents stripe