CID 10375140

147086-79-1

Structural Information

Molecular Formula
C8H8OS2
SMILES
C[C@H]1CC(=O)C2=C(S1)SC=C2
InChI
InChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKey
FLJFMDYYNMNASJ-YFKPBYRVSA-N
Compound name
(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

184.00166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.008936 134.1
[M+Na]+ 206.990878 144.1
[M-H]- 182.994384 139.0
[M+NH4]+ 202.035483 158.1
[M+K]+ 222.964818 140.5
[M+H-H2O]+ 166.998920 130.3
[M+HCOO]- 228.999861 146.5
[M+CH3COO]- 243.015511 148.0
[M+Na-2H]- 204.976326 135.2
[M]+ 184.00111142 135.7
[M]- 184.00220858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe