CID 63657870

1-phenylpent-4-yn-1-amine

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C#CCCC(C1=CC=CC=C1)N

InChI

InChI=1S/C11H13N/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8,11H,3,9,12H2

InChIKey

IOQFVCAXMPFUAV-UHFFFAOYSA-N

Compound name

1-phenylpent-4-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.1048 Da
Monoisotopic Mass: 1.7
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]+	160.11208	138.5
[M+Na]+	182.09402	150.1
[M+NH4]+	177.13862	143.8
[M+K]+	198.06796	140.2
[M-H]-	158.09752	133.4
[M+Na-2H]-	180.07947	142.4
[M]+	159.10425	137.9
[M]-	159.10535	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.