CID 3076492

Silane, ((4-(4-cyclobutyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethyl)trimethyl-

Structural Information

Molecular Formula
C20H26O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CCC4
InChI
InChI=1S/C20H26O3Si/c1-24(2,3)12-11-16-7-9-18(10-8-16)20-21-13-19(14-22-20,15-23-20)17-5-4-6-17/h7-10,17H,4-6,13-15H2,1-3H3
InChIKey
QIISRUHBBLAPDH-UHFFFAOYSA-N
Compound name
2-[4-(4-cyclobutyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17241 177.2
[M+Na]+ 365.15435 184.5
[M-H]- 341.15785 180.1
[M+NH4]+ 360.19895 188.1
[M+K]+ 381.12829 181.0
[M+H-H2O]+ 325.16239 161.1
[M+HCOO]- 387.16333 178.7
[M+CH3COO]- 401.17898 184.4
[M+Na-2H]- 363.13980 186.6
[M]+ 342.16458 182.6
[M]- 342.16568 182.6
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

patents stripe