CID 200957

51179-05-6

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

InChI

InChI=1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2

InChIKey

MKKMZZXGIORPMU-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 218
Patents: 227.13101 Da
Monoisotopic Mass: 3.1
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]+	228.138286	151.8
[M+Na]+	250.120228	158.1
[M-H]-	226.123734	157.7
[M+NH4]+	245.164833	169.2
[M+K]+	266.094168	154.0
[M+H-H2O]+	210.128270	144.1
[M+HCOO]-	272.129211	176.6
[M+CH3COO]-	286.144861	192.4
[M+Na-2H]-	248.105676	158.0
[M]+	227.13046142	151.4
[M]-	227.13155858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe