CID 10845647

1021949-47-2

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: 31
Patents: 198.11569 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.12297	146.0
[M+Na]+	221.10491	159.6
[M+NH4]+	216.14951	154.2
[M+K]+	237.07885	154.4
[M-H]-	197.10841	148.7
[M+Na-2H]-	219.09036	153.7
[M]+	198.11514	148.7
[M]-	198.11624	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe