CID 3077358

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

Structural Information

Molecular Formula
C19H26O3Si
SMILES
CC(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C19H26O3Si/c1-15(2)18-12-20-19(21-13-18,22-14-18)17-8-6-16(7-9-17)10-11-23(3,4)5/h6-9,15H,12-14H2,1-5H3
InChIKey
PDUDRRCUCMGGNO-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-(4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17241 182.1
[M+Na]+ 353.15435 192.8
[M+NH4]+ 348.19895 190.1
[M+K]+ 369.12829 180.0
[M-H]- 329.15785 177.3
[M+Na-2H]- 351.13980 179.6
[M]+ 330.16458 182.1
[M]- 330.16568 182.1
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

No patent data available for this compound.