CID 2760357

2-(phenylamino)propanoic acid

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(C(=O)O)NC1=CC=CC=C1

InChI

InChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)

InChIKey

XWKAVQKJQBISOL-UHFFFAOYSA-N

Compound name

2-anilinopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4067
Patents: 165.07898 Da
Monoisotopic Mass: 1.9
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]+	166.08626	135.0
[M+Na]+	188.06820	145.6
[M+NH4]+	183.11280	142.7
[M+K]+	204.04214	140.8
[M-H]-	164.07170	136.5
[M+Na-2H]-	186.05365	141.1
[M]+	165.07843	136.7
[M]-	165.07953	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe