CID 14849734

3-amino-3-phenylpropanamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(CC(=O)N)N

InChI

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

InChIKey

LWTUSLSPLDBOBT-UHFFFAOYSA-N

Compound name

3-amino-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
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	135.9
[M+Na]+	187.08418	145.5
[M+NH4]+	182.12878	143.7
[M+K]+	203.05812	140.8
[M-H]-	163.08768	138.2
[M+Na-2H]-	185.06963	141.7
[M]+	164.09441	137.6
[M]-	164.09551	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe