CID 18602768

62544-92-7

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

C[C@@H](C(=O)O)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H13NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m0/s1

InChIKey

IYKLZBIWFXPUCS-VIFPVBQESA-N

Compound name

(2S)-2-(naphthalen-1-ylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 25289
Patents: 215.09464 Da
Monoisotopic Mass: 2.9
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]+	216.101916	146.1
[M+Na]+	238.083858	152.4
[M-H]-	214.087364	149.2
[M+NH4]+	233.128463	164.5
[M+K]+	254.057798	149.3
[M+H-H2O]+	198.091900	139.8
[M+HCOO]-	260.092841	167.3
[M+CH3COO]-	274.108491	189.3
[M+Na-2H]-	236.069306	152.2
[M]+	215.09409142	144.9
[M]-	215.09518858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe