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 179.1
[M+Na]+ 353.15435 187.9
[M-H]- 329.15785 179.4
[M+NH4]+ 348.19895 196.1
[M+K]+ 369.12829 180.9
[M+H-H2O]+ 313.16239 167.0
[M+HCOO]- 375.16333 180.7
[M+CH3COO]- 389.17898 186.7
[M+Na-2H]- 351.13980 188.7
[M]+ 330.16458 178.7
[M]- 330.16568 178.7
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

No patent data available for this compound.