CID 102515404

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

Structural Information

Molecular Formula
C5H8N2OS2
SMILES
C(=C/1\C(C(C(=O)N1)N)S)\S
InChI
InChI=1S/C5H8N2OS2/c6-3-4(10)2(1-9)7-5(3)8/h1,3-4,9-10H,6H2,(H,7,8)/b2-1+
InChIKey
BQADNJZQJRCGIG-OWOJBTEDSA-N
Compound name
(5E)-3-amino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

176.00781 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01509 134.0
[M+Na]+ 198.99703 143.2
[M-H]- 175.00053 134.7
[M+NH4]+ 194.04163 154.5
[M+K]+ 214.97097 138.3
[M+H-H2O]+ 159.00507 129.1
[M+HCOO]- 221.00601 144.5
[M+CH3COO]- 235.02166 176.2
[M+Na-2H]- 196.98248 131.2
[M]+ 176.00726 131.4
[M]- 176.00836 131.4
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.