CID 43624667

1153420-28-0

Structural Information

Molecular Formula
C8H8N2O2S2
SMILES
C1CS(=O)(=O)CC2=C1C(=C(S2)N)C#N
InChI
InChI=1S/C8H8N2O2S2/c9-3-6-5-1-2-14(11,12)4-7(5)13-8(6)10/h1-2,4,10H2
InChIKey
HHWYJGKCKJFCTN-UHFFFAOYSA-N
Compound name
2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.00272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01000 155.0
[M+Na]+ 250.99194 168.2
[M-H]- 226.99544 159.9
[M+NH4]+ 246.03654 176.4
[M+K]+ 266.96588 162.4
[M+H-H2O]+ 210.99998 145.2
[M+HCOO]- 273.00092 164.9
[M+CH3COO]- 287.01657 166.6
[M+Na-2H]- 248.97739 156.8
[M]+ 228.00217 151.5
[M]- 228.00327 151.5
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.