CID 55437

Brn 5601142

Structural Information

Molecular Formula
C21H36O3Si
SMILES
CCCC[Si](CC)(CCCC)OC(C1=CC=CC=C1C)C(=O)OCC
InChI
InChI=1S/C21H36O3Si/c1-6-10-16-25(9-4,17-11-7-2)24-20(21(22)23-8-3)19-15-13-12-14-18(19)5/h12-15,20H,6-11,16-17H2,1-5H3
InChIKey
KMKFNRMEUBWORA-UHFFFAOYSA-N
Compound name
ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.24338 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25066 193.8
[M+Na]+ 387.23260 196.7
[M-H]- 363.23610 195.7
[M+NH4]+ 382.27720 207.1
[M+K]+ 403.20654 194.1
[M+H-H2O]+ 347.24064 186.2
[M+HCOO]- 409.24158 211.2
[M+CH3COO]- 423.25723 218.1
[M+Na-2H]- 385.21805 192.6
[M]+ 364.24283 200.7
[M]- 364.24393 200.7
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.