CID 202633

Beta-phenyldiallylethylamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

C=CCC(CC=C)(CN)C1=CC=CC=C1

InChI

InChI=1S/C14H19N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h3-9H,1-2,10-12,15H2

InChIKey

NNVARZNTBOJMPZ-UHFFFAOYSA-N

Compound name

2-phenyl-2-prop-2-enylpent-4-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.15175 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]+	202.159026	148.9
[M+Na]+	224.140968	154.4
[M-H]-	200.144474	151.3
[M+NH4]+	219.185573	167.5
[M+K]+	240.114908	150.0
[M+H-H2O]+	184.149010	142.9
[M+HCOO]-	246.149951	171.0
[M+CH3COO]-	260.165601	189.2
[M+Na-2H]-	222.126416	154.3
[M]+	201.15120142	147.0
[M]-	201.15229858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe