CID 2760346

3-phenoxyphenethylamine

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCN

InChI

InChI=1S/C14H15NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2

InChIKey

CNALSZKXQUFGDN-UHFFFAOYSA-N

Compound name

2-(3-phenoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 213.11537 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]+	214.122646	147.2
[M+Na]+	236.104588	154.0
[M-H]-	212.108094	153.3
[M+NH4]+	231.149193	165.2
[M+K]+	252.078528	150.1
[M+H-H2O]+	196.112630	139.7
[M+HCOO]-	258.113571	172.3
[M+CH3COO]-	272.129221	189.4
[M+Na-2H]-	234.090036	154.0
[M]+	213.11482142	146.4
[M]-	213.11591858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe