CID 420843

40643-55-8

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)

InChIKey

DVYVBENBIMEAJZ-UHFFFAOYSA-N

Compound name

2-(N-methylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1541
Patents: 165.07898 Da
Monoisotopic Mass: 1.6
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	145.7
[M+NH4]+	183.11280	142.6
[M+K]+	204.04214	140.5
[M-H]-	164.07170	136.5
[M+Na-2H]-	186.05365	141.2
[M]+	165.07843	136.5
[M]-	165.07953	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe