CID 3053992

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

Structural Information

Molecular Formula
C10H18O3
SMILES
CCC12OCC(CO1)(CO2)C(C)C
InChI
InChI=1S/C10H18O3/c1-4-10-11-5-9(6-12-10,7-13-10)8(2)3/h8H,4-7H2,1-3H3
InChIKey
DTKVQIRTUXWZSW-UHFFFAOYSA-N
Compound name
1-ethyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 140.0
[M+Na]+ 209.114818 145.0
[M-H]- 185.118324 138.8
[M+NH4]+ 204.159423 163.9
[M+K]+ 225.088758 147.7
[M+H-H2O]+ 169.122860 135.2
[M+HCOO]- 231.123801 148.4
[M+CH3COO]- 245.139451 151.4
[M+Na-2H]- 207.100266 154.3
[M]+ 186.12505142 145.1
[M]- 186.12614858 145.1
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.