CID 3076494

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

Structural Information

Molecular Formula
C19H24O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CC4
InChI
InChI=1S/C19H24O3Si/c1-23(2,3)11-10-15-4-6-17(7-5-15)19-20-12-18(13-21-19,14-22-19)16-8-9-16/h4-7,16H,8-9,12-14H2,1-3H3
InChIKey
PVBGCXDUSFSBBY-UHFFFAOYSA-N
Compound name
2-[4-(4-cyclopropyl-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

2
Patents

328.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15676 182.3
[M+Na]+ 351.13870 195.4
[M+NH4]+ 346.18330 191.5
[M+K]+ 367.11264 183.3
[M-H]- 327.14220 185.9
[M+Na-2H]- 349.12415 183.8
[M]+ 328.14893 186.2
[M]- 328.15003 186.2
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