CID 34143

3-(2-aminoethyl)-5-methoxy-2-methylbenzofuran, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1=C(C2=C(O1)C=CC(=C2)OC)CCN

InChI

InChI=1S/C12H15NO2/c1-8-10(5-6-13)11-7-9(14-2)3-4-12(11)15-8/h3-4,7H,5-6,13H2,1-2H3

InChIKey

MHGCOBSOOYSFIT-UHFFFAOYSA-N

Compound name

2-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 205.11028 Da
Monoisotopic Mass: 2.0
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]+	206.11756	143.1
[M+Na]+	228.09950	156.4
[M+NH4]+	223.14410	152.0
[M+K]+	244.07344	151.7
[M-H]-	204.10300	147.4
[M+Na-2H]-	226.08495	148.8
[M]+	205.10973	146.3
[M]-	205.11083	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe