CID 13596074

3-(4-aminophenyl)propanamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1=CC(=CC=C1CCC(=O)N)N

InChI

InChI=1S/C9H12N2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H2,11,12)

InChIKey

WICPORLNXBPBPR-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 164.09496 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]+	165.10224	135.2
[M+Na]+	187.08418	145.6
[M+NH4]+	182.12878	143.1
[M+K]+	203.05812	140.2
[M-H]-	163.08768	137.8
[M+Na-2H]-	185.06963	141.2
[M]+	164.09441	137.1
[M]-	164.09551	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe