CID 101463

2,2'-biimidazole

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

C1=CN=C(N1)C2=NC=CN2

InChI

InChI=1S/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)

InChIKey

AZUHIVLOSAPWDM-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-2-yl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 45
References: 12581
Patents: 134.05925 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]+	135.06653	124.1
[M+Na]+	157.04847	136.4
[M+NH4]+	152.09307	131.4
[M+K]+	173.02241	134.9
[M-H]-	133.05197	124.3
[M+Na-2H]-	155.03392	132.1
[M]+	134.05870	125.6
[M]-	134.05980	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe