CID 12298891

61711-96-4

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=C(C=C(C=C1)OCCN)OC

InChI

InChI=1S/C10H15NO3/c1-12-9-4-3-8(14-6-5-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3

InChIKey

YHZOBQKNTYURDW-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 197.1052 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]+	198.11248	141.6
[M+Na]+	220.09442	149.5
[M-H]-	196.09792	145.1
[M+NH4]+	215.13902	160.9
[M+K]+	236.06836	148.5
[M+H-H2O]+	180.10246	135.3
[M+HCOO]-	242.10340	167.0
[M+CH3COO]-	256.11905	186.9
[M+Na-2H]-	218.07987	147.1
[M]+	197.10465	145.3
[M]-	197.10575	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe