CID 4624

Oxidopamine

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

C1=C(C(=CC(=C1O)O)O)CCN

InChI

InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2

InChIKey

DIVDFFZHCJEHGG-UHFFFAOYSA-N

Compound name

5-(2-aminoethyl)benzene-1,2,4-triol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 10022
References: 13968
Patents: 169.0739 Da
Monoisotopic Mass: 0.2
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]+	170.08118	133.8
[M+Na]+	192.06312	144.4
[M+NH4]+	187.10772	140.7
[M+K]+	208.03706	140.3
[M-H]-	168.06662	134.3
[M+Na-2H]-	190.04857	138.1
[M]+	169.07335	135.1
[M]-	169.07445	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe