CID 3088189

N-(beta-thiosulfoethyl)-2-pyrrolidone sodium salt

Structural Information

Molecular Formula
C6H11NO4S2
SMILES
C1CC(=O)N(C1)CCSS(=O)(=O)O
InChI
InChI=1S/C6H11NO4S2/c8-6-2-1-3-7(6)4-5-12-13(9,10)11/h1-5H2,(H,9,10,11)
InChIKey
JWBSOGQBDWRLIE-UHFFFAOYSA-N
Compound name
2-oxo-1-(2-sulfosulfanylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01295 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02023 149.8
[M+Na]+ 248.00217 156.4
[M+NH4]+ 243.04677 155.8
[M+K]+ 263.97611 151.3
[M-H]- 224.00567 147.5
[M+Na-2H]- 245.98762 149.8
[M]+ 225.01240 150.5
[M]- 225.01350 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.