CID 13891382

68770-54-7

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

COC1=CC=CC(=C1)CC(C2=CC=CC=C2)N

InChI

InChI=1S/C15H17NO/c1-17-14-9-5-6-12(10-14)11-15(16)13-7-3-2-4-8-13/h2-10,15H,11,16H2,1H3

InChIKey

XOYULUHRZSJAEF-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 227.13101 Da
Monoisotopic Mass: 2.7
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]+	228.13829	152.5
[M+Na]+	250.12023	158.4
[M-H]-	226.12373	158.5
[M+NH4]+	245.16483	169.8
[M+K]+	266.09417	154.9
[M+H-H2O]+	210.12827	144.8
[M+HCOO]-	272.12921	176.2
[M+CH3COO]-	286.14486	193.2
[M+Na-2H]-	248.10568	157.4
[M]+	227.13046	151.4
[M]-	227.13156	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe