CID 87622

Isobutyltrimethoxysilane

Structural Information

Molecular Formula

C₇H₁₈O₃Si

SMILES

CC(C)C[Si](OC)(OC)OC

InChI

InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3

InChIKey

XYJRNCYWTVGEEG-UHFFFAOYSA-N

Compound name

trimethoxy(2-methylpropyl)silane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 20968
Patents: 178.10252 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]+	179.10980	138.8
[M+Na]+	201.09174	145.4
[M-H]-	177.09524	139.0
[M+NH4]+	196.13634	159.9
[M+K]+	217.06568	147.0
[M+H-H2O]+	161.09978	134.3
[M+HCOO]-	223.10072	160.1
[M+CH3COO]-	237.11637	180.5
[M+Na-2H]-	199.07719	144.2
[M]+	178.10197	144.2
[M]-	178.10307	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe