CID 3021896

4-(2',4'-dimethylbenzyl)imidazole hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC1=CC(=C(C=C1)CC2=CN=CN2)C

InChI

InChI=1S/C12H14N2/c1-9-3-4-11(10(2)5-9)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)

InChIKey

HVNZZQUYLBKIIJ-UHFFFAOYSA-N

Compound name

5-[(2,4-dimethylphenyl)methyl]-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 186.11569 Da
Monoisotopic Mass: 2.7
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]+	187.122966	141.1
[M+Na]+	209.104908	150.1
[M-H]-	185.108414	144.2
[M+NH4]+	204.149513	159.6
[M+K]+	225.078848	145.7
[M+H-H2O]+	169.112950	133.5
[M+HCOO]-	231.113891	162.9
[M+CH3COO]-	245.129541	154.1
[M+Na-2H]-	207.090356	145.8
[M]+	186.11514142	140.3
[M]-	186.11623858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe