CID 117636

25784-00-3

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

C1=CC=C(C(=C1)C(=O)O)NCCO

InChI

InChI=1S/C9H11NO3/c11-6-5-10-8-4-2-1-3-7(8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)

InChIKey

KULNOANNPOGHQK-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 9
Patents: 181.0739 Da
Monoisotopic Mass: 1.4
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	137.9
[M+Na]+	204.06312	148.1
[M+NH4]+	199.10772	144.8
[M+K]+	220.03706	143.6
[M-H]-	180.06662	138.5
[M+Na-2H]-	202.04857	143.0
[M]+	181.07335	139.2
[M]-	181.07445	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe