CID 102514985

(5e)-3-imino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H6N2OS2
SMILES
C(=C/1\C(C(=N)C(=O)N1)S)\S
InChI
InChI=1S/C5H6N2OS2/c6-3-4(10)2(1-9)7-5(3)8/h1,4,6,9-10H,(H,7,8)/b2-1+,6-3?
InChIKey
NPIQAWSIYDPIFA-LLCPMXLLSA-N
Compound name
(5E)-3-imino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

173.99216 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99944 133.3
[M+Na]+ 196.98138 142.9
[M-H]- 172.98488 134.6
[M+NH4]+ 192.02598 154.1
[M+K]+ 212.95532 137.7
[M+H-H2O]+ 156.98942 128.5
[M+HCOO]- 218.99036 144.6
[M+CH3COO]- 233.00601 176.0
[M+Na-2H]- 194.96683 131.5
[M]+ 173.99161 131.1
[M]- 173.99271 131.1
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

No patent data available for this compound.