CID 198402

1-butyl-4-ethyl-2,6,7-trioxabicyclo(2.2.2)octane

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCCC12OCC(CO1)(CO2)CC
InChI
InChI=1S/C11H20O3/c1-3-5-6-11-12-7-10(4-2,8-13-11)9-14-11/h3-9H2,1-2H3
InChIKey
UACPCNQAIPLTOI-UHFFFAOYSA-N
Compound name
1-butyl-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 146.8
[M+Na]+ 223.13047 156.9
[M+NH4]+ 218.17507 159.7
[M+K]+ 239.10441 147.1
[M-H]- 199.13397 148.7
[M+Na-2H]- 221.11592 146.1
[M]+ 200.14070 149.2
[M]- 200.14180 149.2
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.