CID 16744149

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

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: 229
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	166.9
[M+Na]+	351.02337	176.0
[M-H]-	327.02687	169.3
[M+NH4]+	346.06797	185.3
[M+K]+	366.99731	167.5
[M+H-H2O]+	311.03141	166.9
[M+HCOO]-	373.03235	183.8
[M+CH3COO]-	387.04800	201.5
[M+Na-2H]-	349.00882	172.7
[M]+	328.03360	192.6
[M]-	328.03470	192.6

Literature stripe

literature stripe

Patent stripe

patents stripe