CID 25418841

4900-26-9

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

C1=CC(=C(C=C1CCN)C(=O)O)O

InChI

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

InChIKey

UVHVULDKNLJNRZ-UHFFFAOYSA-N

Compound name

5-(2-aminoethyl)-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.0739 Da
Monoisotopic Mass: -0.5
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	137.4
[M+Na]+	204.06312	144.8
[M-H]-	180.06662	138.4
[M+NH4]+	199.10772	155.7
[M+K]+	220.03706	142.2
[M+H-H2O]+	164.07116	131.9
[M+HCOO]-	226.07210	159.2
[M+CH3COO]-	240.08775	179.0
[M+Na-2H]-	202.04857	141.1
[M]+	181.07335	135.5
[M]-	181.07445	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe