CID 2760368

3-phenylbenzylamine

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

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

InChI

InChI=1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2

InChIKey

WKHABRRJMGVELW-UHFFFAOYSA-N

Compound name

(3-phenylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 704
Patents: 183.1048 Da
Monoisotopic Mass: 2.4
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]+	184.11208	140.5
[M+Na]+	206.09402	155.6
[M+NH4]+	201.13862	150.8
[M+K]+	222.06796	146.8
[M-H]-	182.09752	146.9
[M+Na-2H]-	204.07947	151.6
[M]+	183.10425	144.6
[M]-	183.10535	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe