CID 21843621

2411302-08-2

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1=CC2=C(C=CO2)C=C1CCN

InChI

InChI=1S/C10H11NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7H,3,5,11H2

InChIKey

OCYJAPURRRFJMB-UHFFFAOYSA-N

Compound name

2-(1-benzofuran-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
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	130.7
[M+Na]+	184.073278	140.4
[M-H]-	160.076784	136.1
[M+NH4]+	179.117883	152.9
[M+K]+	200.047218	138.3
[M+H-H2O]+	144.081320	125.3
[M+HCOO]-	206.082261	156.8
[M+CH3COO]-	220.097911	145.8
[M+Na-2H]-	182.058726	139.6
[M]+	161.08351142	132.7
[M]-	161.08460858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe