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

45
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

literature stripe

Patent stripe

patents stripe