CID 3007429

Chembl25813

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

CC(C)(N1C=CN=C1)N2C=CN=C2

InChI

InChI=1S/C9H12N4/c1-9(2,12-5-3-10-7-12)13-6-4-11-8-13/h3-8H,1-2H3

InChIKey

LGCCYEOIBJLOLE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 176.1062 Da
Monoisotopic Mass: 0.5
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]+	177.113476	137.2
[M+Na]+	199.095418	147.2
[M-H]-	175.098924	139.5
[M+NH4]+	194.140023	155.4
[M+K]+	215.069358	145.2
[M+H-H2O]+	159.103460	128.4
[M+HCOO]-	221.104401	159.2
[M+CH3COO]-	235.120051	178.8
[M+Na-2H]-	197.080866	143.9
[M]+	176.10565142	139.1
[M]-	176.10674858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe