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 184.3
[M+Na]+ 393.18562 191.3
[M-H]- 369.18912 185.9
[M+NH4]+ 388.23022 199.1
[M+K]+ 409.15956 182.2
[M+H-H2O]+ 353.19366 170.2
[M+HCOO]- 415.19460 183.4
[M+CH3COO]- 429.21025 190.4
[M+Na-2H]- 391.17107 192.5
[M]+ 370.19585 179.1
[M]- 370.19695 179.1
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