CID 53230135

3-(triethoxysilyl)propyl 2-bromo-2-methylpropanoate

Structural Information

Molecular Formula
C13H27BrO5Si
SMILES
CCO[Si](CCCOC(=O)C(C)(C)Br)(OCC)OCC
InChI
InChI=1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12(15)13(4,5)14/h6-11H2,1-5H3
InChIKey
HRBDELVBHOGZRM-UHFFFAOYSA-N
Compound name
3-triethoxysilylpropyl 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

370.08112 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08840 180.8
[M+Na]+ 393.07034 188.7
[M-H]- 369.07384 182.7
[M+NH4]+ 388.11494 197.6
[M+K]+ 409.04428 179.5
[M+H-H2O]+ 353.07838 180.2
[M+HCOO]- 415.07932 196.7
[M+CH3COO]- 429.09497 209.8
[M+Na-2H]- 391.05579 185.1
[M]+ 370.08057 207.5
[M]- 370.08167 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe