CID 44350137

146849-92-5

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CCOC1=C(C=C(C=C1OC)CC(C)N)OC

InChI

InChI=1S/C13H21NO3/c1-5-17-13-11(15-3)7-10(6-9(2)14)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3

InChIKey

AHLXCGRWNKUNTQ-UHFFFAOYSA-N

Compound name

1-(4-ethoxy-3,5-dimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 232
Patents: 239.15215 Da
Monoisotopic Mass: 1.6
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]+	240.159426	155.8
[M+Na]+	262.141368	163.0
[M-H]-	238.144874	159.2
[M+NH4]+	257.185973	173.6
[M+K]+	278.115308	161.9
[M+H-H2O]+	222.149410	149.2
[M+HCOO]-	284.150351	179.0
[M+CH3COO]-	298.166001	198.1
[M+Na-2H]-	260.126816	157.7
[M]+	239.15160142	160.2
[M]-	239.15269858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe