CID 199075

1,3,2-dioxathiane, 5-ethyl-5-propyl-, 2-oxide

Structural Information

Molecular Formula
C8H16O3S
SMILES
CCCC1(COS(=O)OC1)CC
InChI
InChI=1S/C8H16O3S/c1-3-5-8(4-2)6-10-12(9)11-7-8/h3-7H2,1-2H3
InChIKey
UAESTUNADZQSIS-UHFFFAOYSA-N
Compound name
5-ethyl-5-propyl-1,3,2-dioxathiane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08930 137.8
[M+Na]+ 215.07124 144.6
[M-H]- 191.07474 142.5
[M+NH4]+ 210.11584 157.3
[M+K]+ 231.04518 145.9
[M+H-H2O]+ 175.07928 133.2
[M+HCOO]- 237.08022 152.4
[M+CH3COO]- 251.09587 179.3
[M+Na-2H]- 213.05669 143.2
[M]+ 192.08147 140.7
[M]- 192.08257 140.7
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.