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 135.8
[M+Na]+ 210.03077 145.2
[M+NH4]+ 205.07537 144.7
[M+K]+ 226.00471 139.0
[M-H]- 186.03427 135.6
[M+Na-2H]- 208.01622 140.1
[M]+ 187.04100 137.3
[M]- 187.04210 137.3
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.