CID 45225

Trimethylamine, dibenzofuran-2-ylcarbonyl-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CN(C)CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C16H15NO2/c1-17(2)10-14(18)11-7-8-16-13(9-11)12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3

InChIKey

GAPGSKJNYPNQPR-UHFFFAOYSA-N

Compound name

1-dibenzofuran-2-yl-2-(dimethylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.11028 Da
Monoisotopic Mass: 3.9
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]+	254.117556	156.7
[M+Na]+	276.099498	165.9
[M-H]-	252.103004	164.8
[M+NH4]+	271.144103	176.8
[M+K]+	292.073438	164.0
[M+H-H2O]+	236.107540	150.1
[M+HCOO]-	298.108481	180.9
[M+CH3COO]-	312.124131	201.8
[M+Na-2H]-	274.084946	163.4
[M]+	253.10973142	162.2
[M]-	253.11082858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.