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: 89
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]+	162.09134	131.8
[M+Na]+	184.07328	141.1
[M-H]-	160.07678	137.3
[M+NH4]+	179.11788	153.9
[M+K]+	200.04722	139.6
[M+H-H2O]+	144.08132	126.5
[M+HCOO]-	206.08226	156.9
[M+CH3COO]-	220.09791	179.6
[M+Na-2H]-	182.05873	139.4
[M]+	161.08351	133.1
[M]-	161.08461	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe