CID 18403500

1822920-20-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1=CC(=CC(=C1)CC(=O)O)CCN

InChI

InChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13)

InChIKey

NHJVLFAOSDNCOV-UHFFFAOYSA-N

Compound name

2-[3-(2-aminoethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 179.09464 Da
Monoisotopic Mass: -1.4
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]+	180.10192	139.1
[M+Na]+	202.08386	149.8
[M+NH4]+	197.12846	146.6
[M+K]+	218.05780	144.4
[M-H]-	178.08736	140.5
[M+Na-2H]-	200.06931	144.5
[M]+	179.09409	140.7
[M]-	179.09519	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe