CID 24692916

143426-59-9

Structural Information

Molecular Formula

C₁₁H₉N₃

SMILES

C1=CC(=CC(=C1)C#N)CN2C=CN=C2

InChI

InChI=1S/C11H9N3/c12-7-10-2-1-3-11(6-10)8-14-5-4-13-9-14/h1-6,9H,8H2

InChIKey

BTCQQQUDIZILEJ-UHFFFAOYSA-N

Compound name

3-(imidazol-1-ylmethyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 183.07965 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]+	184.08693	142.3
[M+Na]+	206.06887	155.7
[M+NH4]+	201.11347	147.4
[M+K]+	222.04281	146.7
[M-H]-	182.07237	137.9
[M+Na-2H]-	204.05432	148.4
[M]+	183.07910	142.1
[M]-	183.08020	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe