CID 167736391

5-ethyl-5-(2-methylpropyl)-1,3,2lambda6-dioxathiane-2,2-dione

Structural Information

Molecular Formula
C9H18O4S
SMILES
CCC1(COS(=O)(=O)OC1)CC(C)C
InChI
InChI=1S/C9H18O4S/c1-4-9(5-8(2)3)6-12-14(10,11)13-7-9/h8H,4-7H2,1-3H3
InChIKey
OCUPBJFOUSJHEU-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-methylpropyl)-1,3,2-dioxathiane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09986 142.2
[M+Na]+ 245.08180 149.1
[M-H]- 221.08530 146.9
[M+NH4]+ 240.12640 162.3
[M+K]+ 261.05574 151.0
[M+H-H2O]+ 205.08984 138.6
[M+HCOO]- 267.09078 155.7
[M+CH3COO]- 281.10643 184.4
[M+Na-2H]- 243.06725 147.9
[M]+ 222.09203 146.2
[M]- 222.09313 146.2
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.