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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 141.1
[M+Na]+ 209.10491 150.1
[M-H]- 185.10841 144.2
[M+NH4]+ 204.14951 159.6
[M+K]+ 225.07885 145.7
[M+H-H2O]+ 169.11295 133.5
[M+HCOO]- 231.11389 162.9
[M+CH3COO]- 245.12954 154.1
[M+Na-2H]- 207.09036 145.8
[M]+ 186.11514 140.3
[M]- 186.11624 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe