CID 20254

Alfetamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C=CCC(CC1=CC=CC=C1)N

InChI

InChI=1S/C11H15N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2

InChIKey

WQKXQJYCZMWOSD-UHFFFAOYSA-N

Compound name

1-phenylpent-4-en-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 587
Patents: 161.12045 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]+	162.12773	137.3
[M+Na]+	184.10967	149.0
[M+NH4]+	179.15427	146.2
[M+K]+	200.08361	141.8
[M-H]-	160.11317	140.3
[M+Na-2H]-	182.09512	144.3
[M]+	161.11990	139.7
[M]-	161.12100	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe