CID 437612

(s)-(+)-2-amino-n-methyl-3-phenyl-propionamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CNC(=O)C(CC1=CC=CC=C1)N

InChI

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

InChIKey

BVRKOQJETMBIDK-UHFFFAOYSA-N

Compound name

2-amino-N-methyl-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 567
Patents: 178.11061 Da
Monoisotopic Mass: 0.5
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]+	179.117886	140.3
[M+Na]+	201.099828	145.3
[M-H]-	177.103334	143.2
[M+NH4]+	196.144433	159.3
[M+K]+	217.073768	143.6
[M+H-H2O]+	161.107870	133.7
[M+HCOO]-	223.108811	164.4
[M+CH3COO]-	237.124461	185.7
[M+Na-2H]-	199.085276	144.9
[M]+	178.11006142	137.4
[M]-	178.11115858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe