CID 133137

78892-45-2

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

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

InChI

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

InChIKey

WWEDEECRSOOIGH-UHFFFAOYSA-N

Compound name

5-[(2,6-dimethylphenyl)methyl]-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 43
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]+	187.12297	142.2
[M+Na]+	209.10491	156.3
[M+NH4]+	204.14951	150.9
[M+K]+	225.07885	150.5
[M-H]-	185.10841	145.3
[M+Na-2H]-	207.09036	150.6
[M]+	186.11514	145.1
[M]-	186.11624	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe