CID 70603

Butanenitrile, 4-(diethoxymethylsilyl)-

Structural Information

Molecular Formula

C₉H₁₉NO₂Si

SMILES

CCO[Si](C)(CCCC#N)OCC

InChI

InChI=1S/C9H19NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-7,9H2,1-3H3

InChIKey

PPDNYHIVHCJXAM-UHFFFAOYSA-N

Compound name

4-[diethoxy(methyl)silyl]butanenitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 383
Patents: 201.1185 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]+	202.125776	142.9
[M+Na]+	224.107718	150.7
[M-H]-	200.111224	143.4
[M+NH4]+	219.152323	161.1
[M+K]+	240.081658	150.7
[M+H-H2O]+	184.115760	131.6
[M+HCOO]-	246.116701	161.2
[M+CH3COO]-	260.132351	196.9
[M+Na-2H]-	222.093166	148.5
[M]+	201.11795142	142.8
[M]-	201.11904858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe