CID 71299552

5-ethynylpyridine-2-carbonitrile

Structural Information

Molecular Formula

C₈H₄N₂

SMILES

C#CC1=CN=C(C=C1)C#N

InChI

InChI=1S/C8H4N2/c1-2-7-3-4-8(5-9)10-6-7/h1,3-4,6H

InChIKey

KCFUVIOOBLULNJ-UHFFFAOYSA-N

Compound name

5-ethynylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 128.03745 Da
Monoisotopic Mass: 1.2
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]+	129.04473	155.0
[M+Na]+	151.02667	164.9
[M+NH4]+	146.07127	156.2
[M+K]+	167.00061	154.1
[M-H]-	127.03017	144.8
[M+Na-2H]-	149.01212	155.4
[M]+	128.03690	152.3
[M]-	128.03800	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe