CID 3052539

68968-08-1

Structural Information

Molecular Formula

C₁₅H₁₆ClNO

SMILES

COC1=CC=C(C=C1)C(CC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C15H16ClNO/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3

InChIKey

ASVAQEWAKNILRB-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-1-(4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.09204 Da
Monoisotopic Mass: 3.4
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]+	262.099316	159.1
[M+Na]+	284.081258	166.8
[M-H]-	260.084764	165.2
[M+NH4]+	279.125863	176.2
[M+K]+	300.055198	161.4
[M+H-H2O]+	244.089300	152.4
[M+HCOO]-	306.090241	178.2
[M+CH3COO]-	320.105891	198.1
[M+Na-2H]-	282.066706	162.7
[M]+	261.09149142	160.7
[M]-	261.09258858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.