CID 4398451

N-(2-aminoethyl)-4-methoxybenzamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)NCCN

InChI

InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)10(13)12-7-6-11/h2-5H,6-7,11H2,1H3,(H,12,13)

InChIKey

MVDTXHHGMXWCRJ-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 194.10553 Da
Monoisotopic Mass: 0.0
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]+	195.11281	142.9
[M+Na]+	217.09475	152.9
[M+NH4]+	212.13935	150.2
[M+K]+	233.06869	147.6
[M-H]-	193.09825	145.1
[M+Na-2H]-	215.08020	148.6
[M]+	194.10498	144.6
[M]-	194.10608	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe