CID 193386

2-hydroxydopamine

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

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

InChI

InChI=1S/C8H11NO3/c9-4-3-5-1-2-6(10)8(12)7(5)11/h1-2,10-12H,3-4,9H2

InChIKey

WYYIHCWISNZQQY-UHFFFAOYSA-N

Compound name

4-(2-aminoethyl)benzene-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
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