CID 118498

2-isopropylisonicotinonitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

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

InChI

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

InChIKey

HSDPZZMLYGAUFQ-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
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	130.1
[M+Na]+	169.073618	140.0
[M-H]-	145.077124	132.1
[M+NH4]+	164.118223	148.2
[M+K]+	185.047558	137.6
[M+H-H2O]+	129.081660	117.3
[M+HCOO]-	191.082601	148.8
[M+CH3COO]-	205.098251	189.9
[M+Na-2H]-	167.059066	136.1
[M]+	146.08385142	125.1
[M]-	146.08494858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe