CID 210811

Brn 5388410

Structural Information

Molecular Formula
C4H6N2O3S3
SMILES
C1=C(N=C(S1)N)CSS(=O)(=O)O
InChI
InChI=1S/C4H6N2O3S3/c5-4-6-3(1-10-4)2-11-12(7,8)9/h1H,2H2,(H2,5,6)(H,7,8,9)
InChIKey
VLUVJMDVINEXAF-UHFFFAOYSA-N
Compound name
2-amino-4-(sulfosulfanylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.95406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.96134 144.6
[M+Na]+ 248.94328 154.1
[M-H]- 224.94678 144.6
[M+NH4]+ 243.98788 162.1
[M+K]+ 264.91722 147.9
[M+H-H2O]+ 208.95132 139.4
[M+HCOO]- 270.95226 151.3
[M+CH3COO]- 284.96791 181.4
[M+Na-2H]- 246.92873 145.4
[M]+ 225.95351 145.1
[M]- 225.95461 145.1
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.