CID 2917743

390815-37-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCOC1=C(C=C(C=C1)C(C)N)OCC

InChI

InChI=1S/C12H19NO2/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2/h6-9H,4-5,13H2,1-3H3

InChIKey

OXUSXEBIIDKQFW-UHFFFAOYSA-N

Compound name

1-(3,4-diethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
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	148.6
[M+Na]+	232.130808	155.4
[M-H]-	208.134314	151.8
[M+NH4]+	227.175413	167.4
[M+K]+	248.104748	153.9
[M+H-H2O]+	192.138850	142.3
[M+HCOO]-	254.139791	172.0
[M+CH3COO]-	268.155441	191.8
[M+Na-2H]-	230.116256	151.7
[M]+	209.14104142	150.9
[M]-	209.14213858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe