CID 3061237

78892-81-6

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC(=C(C(=C1)C)CC2=CN=CN2)C
InChI
InChI=1S/C13H16N2/c1-9-4-10(2)13(11(3)5-9)6-12-7-14-8-15-12/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKey
UFNKBCQULKNTEN-UHFFFAOYSA-N
Compound name
5-[(2,4,6-trimethylphenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 145.5
[M+Na]+ 223.120568 155.1
[M-H]- 199.124074 148.9
[M+NH4]+ 218.165173 163.9
[M+K]+ 239.094508 150.4
[M+H-H2O]+ 183.128610 138.0
[M+HCOO]- 245.129551 167.0
[M+CH3COO]- 259.145201 185.1
[M+Na-2H]- 221.106016 149.0
[M]+ 200.13080142 145.5
[M]- 200.13189858 145.5
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