CID 12498619

40550-17-2

Structural Information

Molecular Formula

C₁₂H₃₀O₆S₃Si₂

SMILES

CO[Si](CCCSSSCCC[Si](OC)(OC)OC)(OC)OC

InChI

InChI=1S/C12H30O6S3Si2/c1-13-22(14-2,15-3)11-7-9-19-21-20-10-8-12-23(16-4,17-5)18-6/h7-12H2,1-6H3

InChIKey

KOFGNZOFJYBHIN-UHFFFAOYSA-N

Compound name

trimethoxy-[3-(3-trimethoxysilylpropyltrisulfanyl)propyl]silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2029
Patents: 422.0743 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]+	423.081576	195.2
[M+Na]+	445.063518	197.0
[M-H]-	421.067024	192.1
[M+NH4]+	440.108123	206.2
[M+K]+	461.037458	193.1
[M+H-H2O]+	405.071560	187.3
[M+HCOO]-	467.072501	197.6
[M+CH3COO]-	481.088151	216.5
[M+Na-2H]-	443.048966	194.7
[M]+	422.07375142	207.5
[M]-	422.07484858	207.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe