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]+ 185.00894 134.1
[M+Na]+ 206.99088 144.1
[M-H]- 182.99438 139.0
[M+NH4]+ 202.03548 158.1
[M+K]+ 222.96482 140.5
[M+H-H2O]+ 166.99892 130.3
[M+HCOO]- 228.99986 146.5
[M+CH3COO]- 243.01551 148.0
[M+Na-2H]- 204.97633 135.2
[M]+ 184.00111 135.7
[M]- 184.00221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.