CID 9291934

63024-26-0

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: 183
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]+	230.11756	151.3
[M+Na]+	252.09950	163.5
[M+NH4]+	247.14410	159.7
[M+K]+	268.07344	157.0
[M-H]-	228.10300	154.2
[M+Na-2H]-	250.08495	157.6
[M]+	229.10973	153.7
[M]-	229.11083	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe