CID 55439

2-(dibutylethylsiloxy)-2-mesitylacetic acid ethyl ester

Structural Information

Molecular Formula
C23H40O3Si
SMILES
CCCC[Si](CC)(CCCC)OC(C1=C(C=C(C=C1C)C)C)C(=O)OCC
InChI
InChI=1S/C23H40O3Si/c1-8-12-14-27(11-4,15-13-9-2)26-22(23(24)25-10-3)21-19(6)16-18(5)17-20(21)7/h16-17,22H,8-15H2,1-7H3
InChIKey
JCRWMYFHGBHVKM-UHFFFAOYSA-N
Compound name
ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2,4,6-trimethylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.27466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.28194 199.8
[M+Na]+ 415.26388 209.4
[M+NH4]+ 410.30848 205.0
[M+K]+ 431.23782 202.8
[M-H]- 391.26738 199.9
[M+Na-2H]- 413.24933 201.7
[M]+ 392.27411 201.2
[M]- 392.27521 201.2
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.