CID 3135546

1050208-10-0

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

C1=CC(=CC=C1C(=O)O)OCCN

InChI

InChI=1S/C9H11NO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4H,5-6,10H2,(H,11,12)

InChIKey

XODDQKUDQGKJEV-UHFFFAOYSA-N

Compound name

4-(2-aminoethoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 181.0739 Da
Monoisotopic Mass: -1.2
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	137.6
[M+Na]+	204.06312	148.1
[M+NH4]+	199.10772	144.7
[M+K]+	220.03706	143.4
[M-H]-	180.06662	138.6
[M+Na-2H]-	202.04857	142.9
[M]+	181.07335	139.0
[M]-	181.07445	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe