CID 28013

16720-19-7

Structural Information

Molecular Formula

C₇H₁₆O₄SSi

SMILES

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

InChI

InChI=1S/C7H16O4SSi/c1-7(8)12-5-6-13(9-2,10-3)11-4/h5-6H2,1-4H3

InChIKey

VTDGQIKUNVKXLV-UHFFFAOYSA-N

Compound name

S-(2-trimethoxysilylethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 224.05386 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]+	225.06114	148.2
[M+Na]+	247.04308	154.6
[M-H]-	223.04658	148.4
[M+NH4]+	242.08768	167.6
[M+K]+	263.01702	154.9
[M+H-H2O]+	207.05112	143.0
[M+HCOO]-	269.05206	164.4
[M+CH3COO]-	283.06771	184.7
[M+Na-2H]-	245.02853	150.4
[M]+	224.05331	156.2
[M]-	224.05441	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe