CID 10845647

5-(1-(2,3-dimethylphenyl)vinyl)-1h-imidazole

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=C(C(=CC=C1)C(=C)C2=CN=CN2)C
InChI
InChI=1S/C13H14N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
YJOFSWIMUJKAGV-UHFFFAOYSA-N
Compound name
5-[1-(2,3-dimethylphenyl)ethenyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

198.11569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 144.9
[M+Na]+ 221.10491 153.5
[M-H]- 197.10841 148.0
[M+NH4]+ 216.14951 162.8
[M+K]+ 237.07885 148.7
[M+H-H2O]+ 181.11295 137.3
[M+HCOO]- 243.11389 165.5
[M+CH3COO]- 257.12954 183.9
[M+Na-2H]- 219.09036 147.9
[M]+ 198.11514 143.1
[M]- 198.11624 143.1
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