CID 133305

79928-22-6

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C(C(=CC=C1)C)CCC2=CN=CN2
InChI
InChI=1S/C13H16N2/c1-10-4-3-5-11(2)13(10)7-6-12-8-14-9-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKey
WRAZSLKGTVFTSN-UHFFFAOYSA-N
Compound name
5-[2-(2,6-dimethylphenyl)ethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

200.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.7
[M+Na]+ 223.12057 154.3
[M-H]- 199.12407 148.6
[M+NH4]+ 218.16517 163.7
[M+K]+ 239.09451 149.6
[M+H-H2O]+ 183.12861 137.8
[M+HCOO]- 245.12955 167.1
[M+CH3COO]- 259.14520 184.0
[M+Na-2H]- 221.10602 149.8
[M]+ 200.13080 145.2
[M]- 200.13190 145.2
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