CID 350450

3-butoxytetrahydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C8H16O3S
SMILES
CCCCOC1CCS(=O)(=O)C1
InChI
InChI=1S/C8H16O3S/c1-2-3-5-11-8-4-6-12(9,10)7-8/h8H,2-7H2,1H3
InChIKey
JCVVQHUBXPKCPC-UHFFFAOYSA-N
Compound name
3-butoxythiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

192.08202 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08930 139.5
[M+Na]+ 215.07124 147.5
[M-H]- 191.07474 143.1
[M+NH4]+ 210.11584 163.4
[M+K]+ 231.04518 146.1
[M+H-H2O]+ 175.07928 135.4
[M+HCOO]- 237.08022 157.9
[M+CH3COO]- 251.09587 178.1
[M+Na-2H]- 213.05669 141.6
[M]+ 192.08147 142.9
[M]- 192.08257 142.9
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.