CID 1514158

40851-65-8

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1=CC=C(C(=C1)CC(=O)O)CN

InChI

InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)

InChIKey

VLOIVYPDUSVCLZ-UHFFFAOYSA-N

Compound name

2-[2-(aminomethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 366
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	134.5
[M+Na]+	188.06820	145.5
[M+NH4]+	183.11280	142.2
[M+K]+	204.04214	140.3
[M-H]-	164.07170	136.1
[M+Na-2H]-	186.05365	140.3
[M]+	165.07843	136.3
[M]-	165.07953	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe