CID 53436697

Indolizine-2-carbonitrile

Structural Information

Molecular Formula

C₉H₆N₂

SMILES

C1=CC2=CC(=CN2C=C1)C#N

InChI

InChI=1S/C9H6N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h1-5,7H

InChIKey

LOQCUYOSKCAMJF-UHFFFAOYSA-N

Compound name

indolizine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 142.0531 Da
Monoisotopic Mass: 2.2
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]+	143.06038	130.1
[M+Na]+	165.04232	144.1
[M+NH4]+	160.08692	136.5
[M+K]+	181.01626	135.0
[M-H]-	141.04582	125.4
[M+Na-2H]-	163.02777	135.6
[M]+	142.05255	130.1
[M]-	142.05365	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe