CID 86248408

2-oxa-6-thia-spiro[3.3]heptane-6,6-dioxide

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

2
Patents

148.01941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 108.3
[M+Na]+ 171.00863 113.3
[M-H]- 147.01213 114.6
[M+NH4]+ 166.05323 118.9
[M+K]+ 186.98257 119.4
[M+H-H2O]+ 131.01667 96.6
[M+HCOO]- 193.01761 123.0
[M+CH3COO]- 207.03326 182.3
[M+Na-2H]- 168.99408 116.5
[M]+ 148.01886 126.4
[M]- 148.01996 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