CID 10198197

76301-00-3

Structural Information

Molecular Formula

C₇H₁₆O₅Si

SMILES

COC(=O)CC[Si](OC)(OC)OC

InChI

InChI=1S/C7H16O5Si/c1-9-7(8)5-6-13(10-2,11-3)12-4/h5-6H2,1-4H3

InChIKey

XJLTZAGUXSAJCZ-UHFFFAOYSA-N

Compound name

methyl 3-trimethoxysilylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 455
Patents: 208.0767 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]+	209.08398	142.7
[M+Na]+	231.06592	149.5
[M-H]-	207.06942	142.9
[M+NH4]+	226.11052	162.3
[M+K]+	247.03986	151.4
[M+H-H2O]+	191.07396	137.8
[M+HCOO]-	253.07490	164.7
[M+CH3COO]-	267.09055	182.9
[M+Na-2H]-	229.05137	148.4
[M]+	208.07615	150.2
[M]-	208.07725	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe