CID 3065687

108614-08-0

Structural Information

Molecular Formula
C22H30O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CCCCC4
InChI
InChI=1S/C22H30O3Si/c1-26(2,3)14-13-18-9-11-20(12-10-18)22-23-15-21(16-24-22,17-25-22)19-7-5-4-6-8-19/h9-12,19H,4-8,15-17H2,1-3H3
InChIKey
YJVVJOQVKMBUMF-UHFFFAOYSA-N
Compound name
2-[4-(4-cyclohexyl-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

14
Patents

370.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20368 195.2
[M+Na]+ 393.18562 205.7
[M+NH4]+ 388.23022 203.6
[M+K]+ 409.15956 191.6
[M-H]- 369.18912 192.3
[M+Na-2H]- 391.17107 193.1
[M]+ 370.19585 195.6
[M]- 370.19695 195.6
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