CID 12904677

2-methyl-2-(pyridin-2-yl)propanenitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC(C)(C#N)C1=CC=CC=N1

InChI

InChI=1S/C9H10N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,1-2H3

InChIKey

SYILGDLWTPODQG-UHFFFAOYSA-N

Compound name

2-methyl-2-pyridin-2-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 146.0844 Da
Monoisotopic Mass: 1.5
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]+	147.09168	133.9
[M+Na]+	169.07362	146.3
[M+NH4]+	164.11822	139.1
[M+K]+	185.04756	137.0
[M-H]-	145.07712	128.3
[M+Na-2H]-	167.05907	139.0
[M]+	146.08385	133.3
[M]-	146.08495	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe