CID 17005

Alpha-methyldopamine

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC(CC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C9H13NO2/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5-6,11-12H,4,10H2,1H3

InChIKey

KSRGADMGIRTXAF-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 62
References: 630
Patents: 167.09464 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]+	168.10192	135.4
[M+Na]+	190.08386	146.2
[M+NH4]+	185.12846	143.0
[M+K]+	206.05780	141.6
[M-H]-	166.08736	136.7
[M+Na-2H]-	188.06931	140.4
[M]+	167.09409	137.0
[M]-	167.09519	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe