CID 213758

Brn 1966954

Structural Information

Molecular Formula

C₁₆H₂₇NO

SMILES

CCN(CC)CCOCCC1=C(C=CC=C1C)C

InChI

InChI=1S/C16H27NO/c1-5-17(6-2)11-13-18-12-10-16-14(3)8-7-9-15(16)4/h7-9H,5-6,10-13H2,1-4H3

InChIKey

MUVZZUFCTGVLCZ-UHFFFAOYSA-N

Compound name

2-[2-(2,6-dimethylphenyl)ethoxy]-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 249.20926 Da
Monoisotopic Mass: 3.5
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]+	250.216536	163.0
[M+Na]+	272.198478	168.5
[M-H]-	248.201984	167.4
[M+NH4]+	267.243083	181.2
[M+K]+	288.172418	166.8
[M+H-H2O]+	232.206520	155.7
[M+HCOO]-	294.207461	186.9
[M+CH3COO]-	308.223111	205.1
[M+Na-2H]-	270.183926	165.5
[M]+	249.20871142	168.2
[M]-	249.20980858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe