CID 15563983

3-(1h-imidazol-1-yl)pyrazine-2-carbonitrile

Structural Information

Molecular Formula

C₈H₅N₅

SMILES

C1=CN=C(C(=N1)C#N)N2C=CN=C2

InChI

InChI=1S/C8H5N5/c9-5-7-8(12-2-1-11-7)13-4-3-10-6-13/h1-4,6H

InChIKey

ONFDCJDKRKXFIJ-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpyrazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.05449 Da
Monoisotopic Mass: -0.1
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]+	172.06177	131.0
[M+Na]+	194.04371	141.8
[M-H]-	170.04721	130.6
[M+NH4]+	189.08831	144.9
[M+K]+	210.01765	138.1
[M+H-H2O]+	154.05175	113.9
[M+HCOO]-	216.05269	148.4
[M+CH3COO]-	230.06834	142.1
[M+Na-2H]-	192.02916	137.9
[M]+	171.05394	125.3
[M]-	171.05504	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe