CID 98463

21679-20-9

Structural Information

Molecular Formula
C4H8N2O3S3
SMILES
C1C(SC(=N1)N)CSS(=O)(=O)O
InChI
InChI=1S/C4H8N2O3S3/c5-4-6-1-3(11-4)2-10-12(7,8)9/h3H,1-2H2,(H2,5,6)(H,7,8,9)
InChIKey
ZMZBSCWNSHZWNK-UHFFFAOYSA-N
Compound name
2-amino-5-(sulfosulfanylmethyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.96971 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97699 145.6
[M+Na]+ 250.95893 154.0
[M-H]- 226.96243 145.2
[M+NH4]+ 246.00353 162.9
[M+K]+ 266.93287 148.1
[M+H-H2O]+ 210.96697 140.4
[M+HCOO]- 272.96791 150.9
[M+CH3COO]- 286.98356 181.8
[M+Na-2H]- 248.94438 145.7
[M]+ 227.96916 144.9
[M]- 227.97026 144.9
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.