CID 18786123

91949-94-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1=CC=C2C(=C1)C=C(O2)CCN

InChI

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

InChIKey

LPEGMOMWJPWYNX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 161.08406 Da
Monoisotopic Mass: 1.7
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]+	162.09134	130.9
[M+Na]+	184.07328	144.4
[M+NH4]+	179.11788	140.8
[M+K]+	200.04722	139.3
[M-H]-	160.07678	135.7
[M+Na-2H]-	182.05873	138.1
[M]+	161.08351	134.2
[M]-	161.08461	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe