CID 25195398

2-imidazol-2-ylideneimidazole

Structural Information

Molecular Formula

C₆H₄N₄

SMILES

C1=NC(=C2N=CC=N2)N=C1

InChI

InChI=1S/C6H4N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H

InChIKey

HVEHTNLSYGZELD-UHFFFAOYSA-N

Compound name

2-imidazol-2-ylideneimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 44
References: 470
Patents: 132.0436 Da
Monoisotopic Mass: -1.0
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]+	133.050876	123.0
[M+Na]+	155.032818	133.3
[M-H]-	131.036324	125.1
[M+NH4]+	150.077423	142.7
[M+K]+	171.006758	131.4
[M+H-H2O]+	115.040860	114.0
[M+HCOO]-	177.041801	146.5
[M+CH3COO]-	191.057451	137.2
[M+Na-2H]-	153.018266	129.6
[M]+	132.04305142	122.2
[M]-	132.04414858	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe