CID 3065685

108613-97-4

Structural Information

Molecular Formula
C19H26O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C19H26O3Si/c1-5-11-18-13-20-19(21-14-18,22-15-18)17-8-6-16(7-9-17)10-12-23(2,3)4/h6-9H,5,11,13-15H2,1-4H3
InChIKey
FMLJQWIMQVSUMF-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-(4-propyl-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

15
Patents

330.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17241 177.6
[M+Na]+ 353.15435 186.8
[M-H]- 329.15785 177.9
[M+NH4]+ 348.19895 194.7
[M+K]+ 369.12829 179.3
[M+H-H2O]+ 313.16239 165.2
[M+HCOO]- 375.16333 180.2
[M+CH3COO]- 389.17898 185.4
[M+Na-2H]- 351.13980 188.3
[M]+ 330.16458 177.8
[M]- 330.16568 177.8
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