CID 3164026

1-(1-benzofuran-2-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC(C1=CC2=CC=CC=C2O1)N

InChI

InChI=1S/C10H11NO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3

InChIKey

KJCGVGWCEJJQSW-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 161.08406 Da
Monoisotopic Mass: 1.6
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]+	162.091336	131.8
[M+Na]+	184.073278	141.1
[M-H]-	160.076784	137.3
[M+NH4]+	179.117883	153.9
[M+K]+	200.047218	139.6
[M+H-H2O]+	144.081320	126.5
[M+HCOO]-	206.082261	156.9
[M+CH3COO]-	220.097911	179.6
[M+Na-2H]-	182.058726	139.4
[M]+	161.08351142	133.1
[M]-	161.08460858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe