CID 10353338

(4r,6s)-6-methyl-7,7-dioxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-ol

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 140.1
[M+Na]+ 240.99636 150.8
[M-H]- 216.99986 143.7
[M+NH4]+ 236.04096 163.9
[M+K]+ 256.97030 146.7
[M+H-H2O]+ 201.00440 137.3
[M+HCOO]- 263.00534 151.3
[M+CH3COO]- 277.02099 180.2
[M+Na-2H]- 238.98181 142.5
[M]+ 218.00659 142.8
[M]- 218.00769 142.8
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