CID 3077357

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

Structural Information

Molecular Formula
C21H28O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CCCC4
InChI
InChI=1S/C21H28O3Si/c1-25(2,3)13-12-17-8-10-19(11-9-17)21-22-14-20(15-23-21,16-24-21)18-6-4-5-7-18/h8-11,18H,4-7,14-16H2,1-3H3
InChIKey
SZERSUYDFARGJO-UHFFFAOYSA-N
Compound name
2-[4-(4-cyclopentyl-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

0
Patents

356.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18808 187.8
[M+Na]+ 379.17002 197.7
[M+NH4]+ 374.21462 196.2
[M+K]+ 395.14396 185.8
[M-H]- 355.17352 184.1
[M+Na-2H]- 377.15547 185.2
[M]+ 356.18025 187.9
[M]- 356.18135 187.9
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.