CID 22644325

11-cyanoundecyltrimethoxysilane

Structural Information

Molecular Formula

C₁₅H₃₁NO₃Si

SMILES

CO[Si](CCCCCCCCCCCC#N)(OC)OC

InChI

InChI=1S/C15H31NO3Si/c1-17-20(18-2,19-3)15-13-11-9-7-5-4-6-8-10-12-14-16/h4-13,15H2,1-3H3

InChIKey

SFTBFZCLFNNXEU-UHFFFAOYSA-N

Compound name

12-trimethoxysilyldodecanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 109
Patents: 301.2073 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]+	302.21458	168.4
[M+Na]+	324.19652	173.9
[M-H]-	300.20002	167.9
[M+NH4]+	319.24112	183.0
[M+K]+	340.17046	172.9
[M+H-H2O]+	284.20456	155.9
[M+HCOO]-	346.20550	185.2
[M+CH3COO]-	360.22115	214.7
[M+Na-2H]-	322.18197	171.4
[M]+	301.20675	171.7
[M]-	301.20785	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe