CID 121318244

2-(3-ethynylphenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

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

InChI

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

InChIKey

YREBKMLLJYPNLL-UHFFFAOYSA-N

Compound name

2-(3-ethynylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.1048 Da
Monoisotopic Mass: 1.6
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	137.5
[M+Na]+	182.09402	149.3
[M+NH4]+	177.13862	142.7
[M+K]+	198.06796	140.1
[M-H]-	158.09752	132.0
[M+Na-2H]-	180.07947	141.5
[M]+	159.10425	136.9
[M]-	159.10535	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe