CID 4196253

111143-04-5

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

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

InChI

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

InChIKey

UGYLBIAQUSWTRS-UHFFFAOYSA-N

Compound name

2-phenoxy-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 213.11537 Da
Monoisotopic Mass: 2.5
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	147.9
[M+Na]+	236.104588	153.3
[M-H]-	212.108094	153.6
[M+NH4]+	231.149193	165.4
[M+K]+	252.078528	149.9
[M+H-H2O]+	196.112630	140.2
[M+HCOO]-	258.113571	171.9
[M+CH3COO]-	272.129221	189.1
[M+Na-2H]-	234.090036	154.1
[M]+	213.11482142	146.0
[M]-	213.11591858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe