CID 118294446

4-phenyl-1-(prop-2-yn-1-yl)-1h-imidazole

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

C#CCN1C=C(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H10N2/c1-2-8-14-9-12(13-10-14)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2

InChIKey

UEUPHUJSTAPYDN-UHFFFAOYSA-N

Compound name

4-phenyl-1-prop-2-ynylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.0844 Da
Monoisotopic Mass: 1.9
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]+	183.09168	141.7
[M+Na]+	205.07362	155.7
[M+NH4]+	200.11822	146.9
[M+K]+	221.04756	146.5
[M-H]-	181.07712	136.8
[M+Na-2H]-	203.05907	147.5
[M]+	182.08385	141.6
[M]-	182.08495	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe