CID 3065705

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

Structural Information

Molecular Formula
C20H28O3Si
SMILES
CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C20H28O3Si/c1-18(2,3)19-13-21-20(22-14-19,23-15-19)17-9-7-16(8-10-17)11-12-24(4,5)6/h7-10H,13-15H2,1-6H3
InChIKey
ATGBINQKNBKIGL-UHFFFAOYSA-N
Compound name
2-[4-(4-tert-butyl-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

13
Patents

344.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18808 185.4
[M+Na]+ 367.17002 195.8
[M+NH4]+ 362.21462 193.1
[M+K]+ 383.14396 183.3
[M-H]- 343.17352 180.1
[M+Na-2H]- 365.15547 183.1
[M]+ 344.18025 185.3
[M]- 344.18135 185.3
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