CID 16090372

N-{[3-(aminomethyl)phenyl]methyl}acetamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(=O)NCC1=CC=CC(=C1)CN

InChI

InChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H,12,13)

InChIKey

UBGHOIDVCMBBEP-UHFFFAOYSA-N

Compound name

N-[[3-(aminomethyl)phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 21
Patents: 178.11061 Da
Monoisotopic Mass: -0.2
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]+	179.11789	139.9
[M+Na]+	201.09983	150.4
[M+NH4]+	196.14443	147.8
[M+K]+	217.07377	144.5
[M-H]-	177.10333	142.6
[M+Na-2H]-	199.08528	146.0
[M]+	178.11006	141.8
[M]-	178.11116	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe