CID 16744149

314021-97-1

Structural Information

Molecular Formula

C₁₀H₂₁BrO₅Si

SMILES

CC(C)(C(=O)OCCC[Si](OC)(OC)OC)Br

InChI

InChI=1S/C10H21BrO5Si/c1-10(2,11)9(12)16-7-6-8-17(13-3,14-4)15-5/h6-8H2,1-5H3

InChIKey

PBHIWZGFSZBQJV-UHFFFAOYSA-N

Compound name

3-trimethoxysilylpropyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 328.03415 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.04143	165.2
[M+Na]+	351.02337	163.7
[M+NH4]+	346.06797	166.6
[M+K]+	366.99731	166.6
[M-H]-	327.02687	160.4
[M+Na-2H]-	349.00882	163.2
[M]+	328.03360	162.2
[M]-	328.03470	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe