CID 11821241

120606-08-8

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

COC1=CC=CC=C1OCCNCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3

InChIKey

SZDYRZVWNVIYGO-UHFFFAOYSA-N

Compound name

N-benzyl-2-(2-methoxyphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 257.14157 Da
Monoisotopic Mass: 2.9
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]+	258.14885	160.8
[M+Na]+	280.13079	174.5
[M+NH4]+	275.17539	169.5
[M+K]+	296.10473	165.8
[M-H]-	256.13429	166.2
[M+Na-2H]-	278.11624	170.5
[M]+	257.14102	164.3
[M]-	257.14212	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe