CID 10353338

147128-77-6

Structural Information

Molecular Formula
C8H10O3S2
SMILES
C[C@H]1C[C@H](C2=C(S1(=O)=O)SC=C2)O
InChI
InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
InChIKey
NFUQUGUUAUVBMO-CAHLUQPWSA-N
Compound name
(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

17
Patents

218.00714 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01442 143.1
[M+Na]+ 240.99636 153.1
[M+NH4]+ 236.04096 153.4
[M+K]+ 256.97030 144.1
[M-H]- 216.99986 144.1
[M+Na-2H]- 238.98181 147.0
[M]+ 218.00659 145.7
[M]- 218.00769 145.7
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

patents stripe