CID 3021898

4-(2'-ethylbenzyl)imidazole hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CCC1=CC=CC=C1CC2=CN=CN2

InChI

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

InChIKey

HHUQCBREJLPRJC-UHFFFAOYSA-N

Compound name

5-[(2-ethylphenyl)methyl]-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.11569 Da
Monoisotopic Mass: 2.8
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	142.4
[M+Na]+	209.10491	156.1
[M+NH4]+	204.14951	151.0
[M+K]+	225.07885	150.1
[M-H]-	185.10841	145.4
[M+Na-2H]-	207.09036	151.0
[M]+	186.11514	145.2
[M]-	186.11624	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe