CID 22238091

207740-18-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC1=C(C=C(C(=C1C)OC)CCN)OC

InChI

InChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3

InChIKey

NFOHGLKGLZIHJQ-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 181
Patents: 209.14159 Da
Monoisotopic Mass: 1.9
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	147.2
[M+Na]+	232.130808	156.2
[M-H]-	208.134314	151.2
[M+NH4]+	227.175413	166.8
[M+K]+	248.104748	154.3
[M+H-H2O]+	192.138850	141.4
[M+HCOO]-	254.139791	171.6
[M+CH3COO]-	268.155441	193.3
[M+Na-2H]-	230.116256	150.3
[M]+	209.14104142	151.0
[M]-	209.14213858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe