CID 4717479

1-(methylamino)-3-phenyl-2-propyne

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

CNCC#CC1=CC=CC=C1

InChI

InChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,9H2,1H3

InChIKey

HXHNCCXRHHKYJM-UHFFFAOYSA-N

Compound name

N-methyl-3-phenylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 145.08914 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]+	146.09642	133.4
[M+Na]+	168.07836	142.6
[M-H]-	144.08186	135.4
[M+NH4]+	163.12296	152.3
[M+K]+	184.05230	138.4
[M+H-H2O]+	128.08640	121.7
[M+HCOO]-	190.08734	152.8
[M+CH3COO]-	204.10299	184.9
[M+Na-2H]-	166.06381	140.2
[M]+	145.08859	126.9
[M]-	145.08969	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe