CID 145108

3-ethoxy-4-methoxyphenethylamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCOC1=C(C=CC(=C1)CCN)OC

InChI

InChI=1S/C11H17NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7,12H2,1-2H3

InChIKey

NJVDYCNYTDOXPX-UHFFFAOYSA-N

Compound name

2-(3-ethoxy-4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 195.12593 Da
Monoisotopic Mass: 1.1
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]+	196.133206	143.4
[M+Na]+	218.115148	150.9
[M-H]-	194.118654	146.7
[M+NH4]+	213.159753	162.8
[M+K]+	234.089088	149.2
[M+H-H2O]+	178.123190	137.1
[M+HCOO]-	240.124131	168.2
[M+CH3COO]-	254.139781	187.9
[M+Na-2H]-	216.100596	148.3
[M]+	195.12538142	145.9
[M]-	195.12647858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe