CID 3025961

Mpep

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

CC1=NC(=CC=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3

InChIKey

NEWKHUASLBMWRE-UHFFFAOYSA-N

Compound name

2-methyl-6-(2-phenylethynyl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 730
References: 8732
Patents: 193.08914 Da
Monoisotopic Mass: 3.3
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]+	194.09642	146.0
[M+Na]+	216.07836	161.6
[M+NH4]+	211.12296	152.0
[M+K]+	232.05230	149.6
[M-H]-	192.08186	142.7
[M+Na-2H]-	214.06381	153.3
[M]+	193.08859	146.7
[M]-	193.08969	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe