CID 118546

2-propylisonicotinonitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CCCC1=NC=CC(=C1)C#N

InChI

InChI=1S/C9H10N2/c1-2-3-9-6-8(7-10)4-5-11-9/h4-6H,2-3H2,1H3

InChIKey

BYKWSKWKQONOOH-UHFFFAOYSA-N

Compound name

2-propylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 146.0844 Da
Monoisotopic Mass: 1.6
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]+	147.091676	128.9
[M+Na]+	169.073618	139.0
[M-H]-	145.077124	130.8
[M+NH4]+	164.118223	147.1
[M+K]+	185.047558	136.2
[M+H-H2O]+	129.081660	116.0
[M+HCOO]-	191.082601	148.5
[M+CH3COO]-	205.098251	189.1
[M+Na-2H]-	167.059066	136.1
[M]+	146.08385142	124.5
[M]-	146.08494858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe