CID 12284266

60444-44-2

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CN(CC=C)CC#CC1=CC=CC=C1

InChI

InChI=1S/C13H15N/c1-3-11-14(2)12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,11-12H2,2H3

InChIKey

CRNWWBHBLYPYJJ-UHFFFAOYSA-N

Compound name

N-methyl-3-phenyl-N-prop-2-enylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.12045 Da
Monoisotopic Mass: 2.8
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]+	186.12773	145.4
[M+Na]+	208.10967	153.8
[M-H]-	184.11317	148.2
[M+NH4]+	203.15427	163.3
[M+K]+	224.08361	149.4
[M+H-H2O]+	168.11771	132.9
[M+HCOO]-	230.11865	164.4
[M+CH3COO]-	244.13430	195.4
[M+Na-2H]-	206.09512	149.9
[M]+	185.11990	140.3
[M]-	185.12100	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.