CID 520197

1-(m-tolyl)imidazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=CC(=CC=C1)N2C=CN=C2

InChI

InChI=1S/C10H10N2/c1-9-3-2-4-10(7-9)12-6-5-11-8-12/h2-8H,1H3

InChIKey

CONMFQGRYDVJRS-UHFFFAOYSA-N

Compound name

1-(3-methylphenyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 158.0844 Da
Monoisotopic Mass: 2.0
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]+	159.09168	131.3
[M+Na]+	181.07362	140.7
[M-H]-	157.07712	135.8
[M+NH4]+	176.11822	151.4
[M+K]+	197.04756	137.8
[M+H-H2O]+	141.08166	123.5
[M+HCOO]-	203.08260	155.3
[M+CH3COO]-	217.09825	145.6
[M+Na-2H]-	179.05907	138.3
[M]+	158.08385	131.2
[M]-	158.08495	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe