CID 3075947

129338-85-8

Structural Information

Molecular Formula
C19H24O3Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)CC=C
InChI
InChI=1S/C19H24O3Si/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/h5-9H,1,11,13-15H2,2-4H3
InChIKey
GQQMIUZDBULYCQ-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-(4-prop-2-enyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

328.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15676 177.5
[M+Na]+ 351.13870 186.9
[M-H]- 327.14220 177.8
[M+NH4]+ 346.18330 194.6
[M+K]+ 367.11264 178.9
[M+H-H2O]+ 311.14674 165.1
[M+HCOO]- 373.14768 180.2
[M+CH3COO]- 387.16333 185.3
[M+Na-2H]- 349.12415 188.1
[M]+ 328.14893 177.0
[M]- 328.15003 177.0
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.