CID 86248408

89579-71-5

Structural Information

Molecular Formula
C5H8O3S
SMILES
C1C2(CO1)CS(=O)(=O)C2
InChI
InChI=1S/C5H8O3S/c6-9(7)3-5(4-9)1-8-2-5/h1-4H2
InChIKey
NBZDMUMKMCNGMS-UHFFFAOYSA-N
Compound name
6-oxa-2lambda6-thiaspiro[3.3]heptane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.01941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.026686 108.3
[M+Na]+ 171.008628 113.3
[M-H]- 147.012134 114.6
[M+NH4]+ 166.053233 118.9
[M+K]+ 186.982568 119.4
[M+H-H2O]+ 131.016670 96.6
[M+HCOO]- 193.017611 123.0
[M+CH3COO]- 207.033261 182.3
[M+Na-2H]- 168.994076 116.5
[M]+ 148.01886142 126.4
[M]- 148.01995858 126.4
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