CID 17605786

2243508-32-7

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC1=CC=CC(=C1)NCC(=O)O

InChI

InChI=1S/C9H11NO3/c1-13-8-4-2-3-7(5-8)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)

InChIKey

SKFZRKRPFROPDR-UHFFFAOYSA-N

Compound name

2-(3-methoxyanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 181.0739 Da
Monoisotopic Mass: 0.6
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]+	182.08118	137.5
[M+Na]+	204.06312	148.3
[M+NH4]+	199.10772	144.7
[M+K]+	220.03706	143.4
[M-H]-	180.06662	138.7
[M+Na-2H]-	202.04857	143.2
[M]+	181.07335	139.1
[M]-	181.07445	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe