CID 12870777

79757-31-6

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

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

InChI

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

InChIKey

NUVCRWNHZFZISU-UHFFFAOYSA-N

Compound name

2-methyl-2-pyridin-4-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 146.0844 Da
Monoisotopic Mass: 1.4
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	133.2
[M+Na]+	169.07362	142.9
[M-H]-	145.07712	135.1
[M+NH4]+	164.11822	151.2
[M+K]+	185.04756	140.4
[M+H-H2O]+	129.08166	120.6
[M+HCOO]-	191.08260	151.4
[M+CH3COO]-	205.09825	188.4
[M+Na-2H]-	167.05907	141.2
[M]+	146.08385	128.0
[M]-	146.08495	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe