CID 198399

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

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCC12COC(OC1)(OC2)C(C)C
InChI
InChI=1S/C11H20O3/c1-4-5-10-6-12-11(9(2)3,13-7-10)14-8-10/h9H,4-8H2,1-3H3
InChIKey
GXEZSFASDBKOFD-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-propyl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 144.8
[M+Na]+ 223.13047 149.3
[M-H]- 199.13397 143.4
[M+NH4]+ 218.17507 168.2
[M+K]+ 239.10441 151.9
[M+H-H2O]+ 183.13851 139.8
[M+HCOO]- 245.13945 152.8
[M+CH3COO]- 259.15510 155.7
[M+Na-2H]- 221.11592 158.5
[M]+ 200.14070 150.2
[M]- 200.14180 150.2
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.