CID 3080107

127311-86-8

Structural Information

Molecular Formula
C11H12O3S
SMILES
C1CC23C4CCC(C2(C1)C(=O)SC3=O)O4
InChI
InChI=1S/C11H12O3S/c12-8-10-4-1-5-11(10,9(13)15-8)7-3-2-6(10)14-7/h6-7H,1-5H2
InChIKey
OURAZKBVXBNBGB-UHFFFAOYSA-N
Compound name
13-oxa-8-thiatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05800 149.2
[M+Na]+ 247.03994 155.5
[M+NH4]+ 242.08454 161.8
[M+K]+ 263.01388 152.4
[M-H]- 223.04344 151.0
[M+Na-2H]- 245.02539 150.5
[M]+ 224.05017 151.1
[M]- 224.05127 151.1
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

No patent data available for this compound.