CID 41378

Dtxsid90970607

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: 196
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]+	210.127726	148.2
[M+Na]+	232.109668	153.7
[M-H]-	208.113174	153.9
[M+NH4]+	227.154273	165.9
[M+K]+	248.083608	148.9
[M+H-H2O]+	192.117710	140.8
[M+HCOO]-	254.118651	171.9
[M+CH3COO]-	268.134301	188.6
[M+Na-2H]-	230.095116	153.9
[M]+	209.11990142	144.5
[M]-	209.12099858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe