CID 114772

5-hydroxydopamine

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

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

InChI

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

InChIKey

LCAINUZZHIZKKS-UHFFFAOYSA-N

Compound name

5-(2-aminoethyl)benzene-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 76
References: 658
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	134.1
[M+Na]+	192.06312	142.4
[M-H]-	168.06662	134.1
[M+NH4]+	187.10772	152.5
[M+K]+	208.03706	139.3
[M+H-H2O]+	152.07116	129.1
[M+HCOO]-	214.07210	155.4
[M+CH3COO]-	228.08775	174.8
[M+Na-2H]-	190.04857	138.3
[M]+	169.07335	131.7
[M]-	169.07445	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe