CID 66202302

2913280-63-2

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1CS(=O)(=O)CC2=C1N=C(N2)N
InChI
InChI=1S/C6H9N3O2S/c7-6-8-4-1-2-12(10,11)3-5(4)9-6/h1-3H2,(H3,7,8,9)
InChIKey
RMAYCVOCKCAHAV-UHFFFAOYSA-N
Compound name
5,5-dioxo-3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 134.0
[M+Na]+ 210.030768 144.4
[M-H]- 186.034274 134.7
[M+NH4]+ 205.075373 155.5
[M+K]+ 226.004708 140.7
[M+H-H2O]+ 170.038810 129.0
[M+HCOO]- 232.039751 149.3
[M+CH3COO]- 246.055401 146.9
[M+Na-2H]- 208.016216 138.5
[M]+ 187.04100142 132.3
[M]- 187.04209858 132.3
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.