CID 207419

2-propyn-1-amine, n,n-dimethyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

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

InChI

InChI=1S/C11H13N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,10H2,1-2H3

InChIKey

ARDFJWBFPXYFMH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-phenylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 159.1048 Da
Monoisotopic Mass: 2.2
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	137.9
[M+Na]+	182.09402	150.3
[M+NH4]+	177.13862	143.7
[M+K]+	198.06796	139.9
[M-H]-	158.09752	133.4
[M+Na-2H]-	180.07947	142.8
[M]+	159.10425	137.6
[M]-	159.10535	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe