CID 54595290

1183540-40-0

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2OC)N

InChI

InChI=1S/C15H17NO/c1-11(16)12-7-9-13(10-8-12)14-5-3-4-6-15(14)17-2/h3-11H,16H2,1-2H3

InChIKey

SWUCPINBVVKIIT-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyphenyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.13101 Da
Monoisotopic Mass: 2.8
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	152.3
[M+Na]+	250.12023	159.3
[M-H]-	226.12373	158.8
[M+NH4]+	245.16483	170.0
[M+K]+	266.09417	155.8
[M+H-H2O]+	210.12827	145.0
[M+HCOO]-	272.12921	176.1
[M+CH3COO]-	286.14486	194.4
[M+Na-2H]-	248.10568	156.5
[M]+	227.13046	151.7
[M]-	227.13156	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe