CID 62828

C3942h9dtq

Structural Information

Molecular Formula

C₂₆H₅₈NO₃Si

SMILES

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

InChI

InChI=1S/C26H58NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6/h7-26H2,1-6H3/q+1

InChIKey

XTAKDLWEWPRLGB-UHFFFAOYSA-N

Compound name

dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 37
References: 7520
Patents: 460.4186 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]+	461.425876	238.6
[M+Na]+	483.407818	244.3
[M-H]-	459.411324	228.6
[M+NH4]+	478.452423	239.7
[M+K]+	499.381758	241.7
[M+H-H2O]+	443.415860	230.6
[M+HCOO]-	505.416801	255.4
[M+CH3COO]-	519.432451	237.6
[M+Na-2H]-	481.393266	224.5
[M]+	460.41805142	240.1
[M]-	460.41914858	240.1

Literature stripe

literature stripe

Patent stripe

patents stripe