CID 3047645

63867-74-3

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC1(CC(=CC(N1C)(C)C)C#C)C

InChI

InChI=1S/C12H19N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h1,8H,9H2,2-6H3

InChIKey

UCGUPPBDCWQZJE-UHFFFAOYSA-N

Compound name

4-ethynyl-1,2,2,6,6-pentamethyl-3H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.15175 Da
Monoisotopic Mass: 2.0
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]+	178.15903	134.5
[M+Na]+	200.14097	147.1
[M+NH4]+	195.18557	142.2
[M+K]+	216.11491	134.6
[M-H]-	176.14447	128.7
[M+Na-2H]-	198.12642	140.2
[M]+	177.15120	134.3
[M]-	177.15230	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.