CID 126234

2,4,5-trihydroxyamphetamine

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CC(CC1=CC(=C(C=C1O)O)O)N

InChI

InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3

InChIKey

FWNNQQDQXAMXMK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 24
Patents: 183.08954 Da
Monoisotopic Mass: 0.6
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]+	184.09682	138.7
[M+Na]+	206.07876	148.8
[M+NH4]+	201.12336	145.3
[M+K]+	222.05270	145.3
[M-H]-	182.08226	139.0
[M+Na-2H]-	204.06421	142.4
[M]+	183.08899	139.9
[M]-	183.09009	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe