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]+ 174.999436 133.3
[M+Na]+ 196.981378 142.9
[M-H]- 172.984884 134.6
[M+NH4]+ 192.025983 154.1
[M+K]+ 212.955318 137.7
[M+H-H2O]+ 156.989420 128.5
[M+HCOO]- 218.990361 144.6
[M+CH3COO]- 233.006011 176.0
[M+Na-2H]- 194.966826 131.5
[M]+ 173.99161142 131.1
[M]- 173.99270858 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.