CID 3080105

127311-84-6

Structural Information

Molecular Formula
C10H12O3S
SMILES
C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)SC2=O)C)O3
InChI
InChI=1S/C10H12O3S/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
InChIKey
JYRAGSXFSDKNJV-XCVPVQRUSA-N
Compound name
(1S,2R,6S,7R)-2,6-dimethyl-10-oxa-4-thiatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.05072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05800 146.3
[M+Na]+ 235.03994 153.7
[M+NH4]+ 230.08454 158.5
[M+K]+ 251.01388 148.9
[M-H]- 211.04344 147.0
[M+Na-2H]- 233.02539 147.4
[M]+ 212.05017 148.1
[M]- 212.05127 148.1
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