CID 9291934

Methyl (2s)-2-amino-3-(naphthalen-2-yl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N

InChI

InChI=1S/C14H15NO2/c1-17-14(16)13(15)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9,15H2,1H3/t13-/m0/s1

InChIKey

NJPNWMZBNBROPE-ZDUSSCGKSA-N

Compound name

methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 229.11028 Da
Monoisotopic Mass: 2.4
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]+	230.117556	151.5
[M+Na]+	252.099498	157.9
[M-H]-	228.103004	155.3
[M+NH4]+	247.144103	169.9
[M+K]+	268.073438	155.2
[M+H-H2O]+	212.107540	144.8
[M+HCOO]-	274.108481	173.3
[M+CH3COO]-	288.124131	193.5
[M+Na-2H]-	250.084946	156.5
[M]+	229.10973142	151.4
[M]-	229.11082858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe