CID 3088190

Brn 5589935

Structural Information

Molecular Formula
C8H15N3O4S2
SMILES
C1CC(=O)N(C1)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H15N3O4S2/c9-7(6-16-17(13,14)15)10-3-5-11-4-1-2-8(11)12/h1-6H2,(H2,9,10)(H,13,14,15)
InChIKey
FEUMMZJOFBNFTE-UHFFFAOYSA-N
Compound name
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-2-oxopyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.05038 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05766 161.0
[M+Na]+ 304.03960 166.3
[M-H]- 280.04310 161.6
[M+NH4]+ 299.08420 176.5
[M+K]+ 320.01354 162.5
[M+H-H2O]+ 264.04764 154.5
[M+HCOO]- 326.04858 171.5
[M+CH3COO]- 340.06423 196.1
[M+Na-2H]- 302.02505 160.3
[M]+ 281.04983 161.3
[M]- 281.05093 161.3
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.