CID 12405513

51294-32-7

Structural Information

Molecular Formula

C₁₀H₅N₅

SMILES

C1=CN=CC=C1C2=NC(=C(N2)C#N)C#N

InChI

InChI=1S/C10H5N5/c11-5-8-9(6-12)15-10(14-8)7-1-3-13-4-2-7/h1-4H,(H,14,15)

InChIKey

XCXUKZHRUZJBCO-UHFFFAOYSA-N

Compound name

2-pyridin-4-yl-1H-imidazole-4,5-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 195.05449 Da
Monoisotopic Mass: 0.8
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]+	196.06177	169.8
[M+Na]+	218.04371	179.2
[M+NH4]+	213.08831	169.9
[M+K]+	234.01765	169.5
[M-H]-	194.04721	159.6
[M+Na-2H]-	216.02916	169.9
[M]+	195.05394	166.9
[M]-	195.05504	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe