CID 3065689

108614-14-8

Structural Information

Molecular Formula
C20H28O3Si
SMILES
CCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C20H28O3Si/c1-5-6-12-19-14-21-20(22-15-19,23-16-19)18-9-7-17(8-10-18)11-13-24(2,3)4/h7-10H,5-6,12,14-16H2,1-4H3
InChIKey
KCDKPDPNGLWGNF-UHFFFAOYSA-N
Compound name
2-[4-(4-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

12
Patents

344.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18808 186.7
[M+Na]+ 367.17002 197.5
[M+NH4]+ 362.21462 194.6
[M+K]+ 383.14396 183.7
[M-H]- 343.17352 181.9
[M+Na-2H]- 365.15547 184.2
[M]+ 344.18025 186.7
[M]- 344.18135 186.7
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