CID 4688

Pargyline

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

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

InChI

InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

InChIKey

DPWPWRLQFGFJFI-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2857
References: 18462
Patents: 159.1048 Da
Monoisotopic Mass: 2.1
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]+	160.112076	136.8
[M+Na]+	182.094018	145.5
[M-H]-	158.097524	139.7
[M+NH4]+	177.138623	155.5
[M+K]+	198.067958	142.2
[M+H-H2O]+	142.102060	124.5
[M+HCOO]-	204.103001	156.2
[M+CH3COO]-	218.118651	192.0
[M+Na-2H]-	180.079466	142.3
[M]+	159.10425142	131.8
[M]-	159.10534858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe