CID 4377953

2-[2-(trimethylsilyl)ethynyl]aniline

Structural Information

Molecular Formula

C₁₁H₁₅NSi

SMILES

C[Si](C)(C)C#CC1=CC=CC=C1N

InChI

InChI=1S/C11H15NSi/c1-13(2,3)9-8-10-6-4-5-7-11(10)12/h4-7H,12H2,1-3H3

InChIKey

ISXSBRZDPKQYSC-UHFFFAOYSA-N

Compound name

2-(2-trimethylsilylethynyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 189.09738 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]+	190.10466	147.3
[M+Na]+	212.08660	156.7
[M-H]-	188.09010	149.0
[M+NH4]+	207.13120	165.2
[M+K]+	228.06054	152.3
[M+H-H2O]+	172.09464	135.9
[M+HCOO]-	234.09558	163.9
[M+CH3COO]-	248.11123	191.1
[M+Na-2H]-	210.07205	151.4
[M]+	189.09683	140.2
[M]-	189.09793	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe