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 180.1
[M+Na]+ 379.17002 188.6
[M-H]- 355.17352 182.2
[M+NH4]+ 374.21462 197.4
[M+K]+ 395.14396 179.0
[M+H-H2O]+ 339.17806 167.8
[M+HCOO]- 401.17900 181.6
[M+CH3COO]- 415.19465 187.4
[M+Na-2H]- 377.15547 187.4
[M]+ 356.18025 176.8
[M]- 356.18135 176.8
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.