CID 11355654

1-(1h-imidazole-1-carboximidoyl)-1h-imidazole

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

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

InChI

InChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H

InChIKey

FKGQRXQOODICAT-UHFFFAOYSA-N

Compound name

di(imidazol-1-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 411
Patents: 161.07014 Da
Monoisotopic Mass: 0.2
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]+	162.077416	130.3
[M+Na]+	184.059358	140.1
[M-H]-	160.062864	132.9
[M+NH4]+	179.103963	148.7
[M+K]+	200.033298	137.9
[M+H-H2O]+	144.067400	120.9
[M+HCOO]-	206.068341	155.0
[M+CH3COO]-	220.083991	144.0
[M+Na-2H]-	182.044806	137.0
[M]+	161.06959142	129.9
[M]-	161.07068858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe