CID 170539

41591-87-1

Structural Information

Molecular Formula

C₂₂H₅₀NO₃Si

SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC

InChI

InChI=1S/C22H50NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6/h7-22H2,1-6H3/q+1

InChIKey

HHHSDHBVFQHIPK-UHFFFAOYSA-N

Compound name

dimethyl-tetradecyl-(3-trimethoxysilylpropyl)azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1321
Patents: 404.356 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]+	405.36328	209.4
[M+Na]+	427.34522	230.2
[M-H]-	403.34872	215.3
[M+NH4]+	422.38982	225.0
[M+K]+	443.31916	202.7
[M+H-H2O]+	387.35326	204.8
[M+HCOO]-	449.35420	242.1
[M+CH3COO]-	463.36985	225.9
[M+Na-2H]-	425.33067	212.6
[M]+	404.35545	225.9
[M]-	404.35655	225.9

Literature stripe

literature stripe

Patent stripe

patents stripe