CID 130649308

4-(4-ethynylphenyl)-1h-imidazole

Structural Information

Molecular Formula
C11H8N2
SMILES
C#CC1=CC=C(C=C1)C2=CN=CN2
InChI
InChI=1S/C11H8N2/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H,(H,12,13)
InChIKey
XBFLCIMJKRPVRA-UHFFFAOYSA-N
Compound name
5-(4-ethynylphenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 138.3
[M+Na]+ 191.05796 152.0
[M+NH4]+ 186.10256 143.4
[M+K]+ 207.03190 143.2
[M-H]- 167.06146 132.9
[M+Na-2H]- 189.04341 143.8
[M]+ 168.06819 137.9
[M]- 168.06929 137.9
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

No patent data available for this compound.