CID 13805405

1-phenyl-1h-imidazol-2-amine

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C(C=C1)N2C=CN=C2N

InChI

InChI=1S/C9H9N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)

InChIKey

ACOLGRUIHSRLDA-UHFFFAOYSA-N

Compound name

1-phenylimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 159.07965 Da
Monoisotopic Mass: 1.3
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]+	160.08693	132.1
[M+Na]+	182.06887	145.4
[M+NH4]+	177.11347	140.9
[M+K]+	198.04281	140.5
[M-H]-	158.07237	135.8
[M+Na-2H]-	180.05432	141.3
[M]+	159.07910	134.9
[M]-	159.08020	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe