CID 3044545

N-methyl-n-propyldopamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCCN(C)CCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H19NO2/c1-3-7-13(2)8-6-10-4-5-11(14)12(15)9-10/h4-5,9,14-15H,3,6-8H2,1-2H3

InChIKey

XCQKYIGPZFSZER-UHFFFAOYSA-N

Compound name

4-[2-[methyl(propyl)amino]ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 209.14159 Da
Monoisotopic Mass: 0.9
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]+	210.148866	148.5
[M+Na]+	232.130808	154.9
[M-H]-	208.134314	150.9
[M+NH4]+	227.175413	166.8
[M+K]+	248.104748	152.9
[M+H-H2O]+	192.138850	142.4
[M+HCOO]-	254.139791	171.1
[M+CH3COO]-	268.155441	189.9
[M+Na-2H]-	230.116256	152.2
[M]+	209.14104142	149.9
[M]-	209.14213858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe