CID 2772357

33741-78-5

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)N

InChI

InChI=1S/C12H11NO2/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,13H2,(H,14,15)

InChIKey

XAJPMFUAJFQIIT-UHFFFAOYSA-N

Compound name

2-amino-2-naphthalen-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 156
Patents: 201.07898 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]+	202.08626	142.1
[M+Na]+	224.06820	148.9
[M-H]-	200.07170	144.9
[M+NH4]+	219.11280	160.8
[M+K]+	240.04214	145.7
[M+H-H2O]+	184.07624	136.1
[M+HCOO]-	246.07718	163.1
[M+CH3COO]-	260.09283	185.7
[M+Na-2H]-	222.05365	147.7
[M]+	201.07843	139.6
[M]-	201.07953	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe