CID 55443

2-mesityl-2-(triisobutylsiloxy)acetic acid ethyl ester

Structural Information

Molecular Formula
C25H44O3Si
SMILES
CCOC(=O)C(C1=C(C=C(C=C1C)C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChI
InChI=1S/C25H44O3Si/c1-11-27-25(26)24(23-21(9)12-20(8)13-22(23)10)28-29(14-17(2)3,15-18(4)5)16-19(6)7/h12-13,17-19,24H,11,14-16H2,1-10H3
InChIKey
BYTIEPJWYDTQQK-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,6-trimethylphenyl)-2-[tris(2-methylpropyl)silyloxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.30597 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.31325 206.3
[M+Na]+ 443.29519 208.7
[M-H]- 419.29869 208.4
[M+NH4]+ 438.33979 217.8
[M+K]+ 459.26913 207.1
[M+H-H2O]+ 403.30323 199.4
[M+HCOO]- 465.30417 219.5
[M+CH3COO]- 479.31982 234.8
[M+Na-2H]- 441.28064 198.7
[M]+ 420.30542 213.7
[M]- 420.30652 213.7
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.