CID 3076049

129679-52-3

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1CC2C3C(C1OC3=O)C(=S)O2
InChI
InChI=1S/C8H8O3S/c9-7-5-3-1-2-4(10-7)6(5)8(12)11-3/h3-6H,1-2H2
InChIKey
UFIHSALZWYWVLO-UHFFFAOYSA-N
Compound name
9-sulfanylidene-5,10-dioxatricyclo[5.3.0.04,8]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01941 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 135.9
[M+Na]+ 207.00863 145.3
[M+NH4]+ 202.05323 145.7
[M+K]+ 222.98257 142.4
[M-H]- 183.01213 139.0
[M+Na-2H]- 204.99408 134.9
[M]+ 184.01886 138.4
[M]- 184.01996 138.4
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.