CID 38381

40055-63-8

Structural Information

Molecular Formula

C₁₀H₂₂O₄SSi

SMILES

CCO[Si](CCSC(=O)C)(OCC)OCC

InChI

InChI=1S/C10H22O4SSi/c1-5-12-16(13-6-2,14-7-3)9-8-15-10(4)11/h5-9H2,1-4H3

InChIKey

FPQLAGZIFPNCND-UHFFFAOYSA-N

Compound name

S-(2-triethoxysilylethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 266.1008 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]+	267.10808	161.7
[M+Na]+	289.09002	166.9
[M-H]-	265.09352	161.3
[M+NH4]+	284.13462	179.4
[M+K]+	305.06396	166.4
[M+H-H2O]+	249.09806	155.9
[M+HCOO]-	311.09900	177.0
[M+CH3COO]-	325.11465	193.6
[M+Na-2H]-	287.07547	162.5
[M]+	266.10025	170.8
[M]-	266.10135	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe