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: 15477
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	123.1
[M+Na]+	157.04847	133.2
[M-H]-	133.05197	122.9
[M+NH4]+	152.09307	141.5
[M+K]+	173.02241	129.8
[M+H-H2O]+	117.05651	114.7
[M+HCOO]-	179.05745	144.9
[M+CH3COO]-	193.07310	136.5
[M+Na-2H]-	155.03392	130.0
[M]+	134.05870	120.9
[M]-	134.05980	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe