CID 41378

3,3-diphenylallylamine hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

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

InChI

InChI=1S/C15H15N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12,16H2

InChIKey

AXEZWCUFXPGSSA-UHFFFAOYSA-N

Compound name

3,3-diphenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 209.12045 Da
Monoisotopic Mass: 3.3
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]+	210.12773	149.7
[M+Na]+	232.10967	163.7
[M+NH4]+	227.15427	159.2
[M+K]+	248.08361	154.9
[M-H]-	208.11317	155.4
[M+Na-2H]-	230.09512	159.9
[M]+	209.11990	153.4
[M]-	209.12100	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe