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

3
Patents

328.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15676 170.1
[M+Na]+ 351.13870 184.8
[M-H]- 327.14220 175.3
[M+NH4]+ 346.18330 184.4
[M+K]+ 367.11264 176.1
[M+H-H2O]+ 311.14674 159.9
[M+HCOO]- 373.14768 173.6
[M+CH3COO]- 387.16333 179.8
[M+Na-2H]- 349.12415 182.4
[M]+ 328.14893 173.3
[M]- 328.15003 173.3
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