CID 19831578

100949-03-9

Structural Information

Molecular Formula

C₈H₆N₂

SMILES

C=CC1=CC(=NC=C1)C#N

InChI

InChI=1S/C8H6N2/c1-2-7-3-4-10-8(5-7)6-9/h2-5H,1H2

InChIKey

VWBSHELHBHKBCF-UHFFFAOYSA-N

Compound name

4-ethenylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 130.0531 Da
Monoisotopic Mass: 1.7
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]+	131.060376	124.9
[M+Na]+	153.042318	135.7
[M-H]-	129.045824	126.9
[M+NH4]+	148.086923	143.6
[M+K]+	169.016258	132.5
[M+H-H2O]+	113.050360	112.2
[M+HCOO]-	175.051301	145.0
[M+CH3COO]-	189.066951	185.6
[M+Na-2H]-	151.027766	132.5
[M]+	130.05255142	119.5
[M]-	130.05364858	119.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe