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]+ 188.04883 134.0
[M+Na]+ 210.03077 144.4
[M-H]- 186.03427 134.7
[M+NH4]+ 205.07537 155.5
[M+K]+ 226.00471 140.7
[M+H-H2O]+ 170.03881 129.0
[M+HCOO]- 232.03975 149.3
[M+CH3COO]- 246.05540 146.9
[M+Na-2H]- 208.01622 138.5
[M]+ 187.04100 132.3
[M]- 187.04210 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.