CID 18959618

2408959-52-2

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC1=C(C=CC(=C1)CC(=O)O)N

InChI

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

InChIKey

NLQUGXNBGZREQP-UHFFFAOYSA-N

Compound name

2-(4-amino-3-methoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 181.0739 Da
Monoisotopic Mass: 0.3
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	137.3
[M+Na]+	204.06312	148.2
[M+NH4]+	199.10772	144.4
[M+K]+	220.03706	143.7
[M-H]-	180.06662	138.4
[M+Na-2H]-	202.04857	142.4
[M]+	181.07335	138.8
[M]-	181.07445	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe