CID 118294446

4-phenyl-1-(prop-2-yn-1-yl)-1h-imidazole

Structural Information

Molecular Formula
C12H10N2
SMILES
C#CCN1C=C(N=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H10N2/c1-2-8-14-9-12(13-10-14)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2
InChIKey
UEUPHUJSTAPYDN-UHFFFAOYSA-N
Compound name
4-phenyl-1-prop-2-ynylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09168 139.5
[M+Na]+ 205.07362 150.3
[M-H]- 181.07712 140.8
[M+NH4]+ 200.11822 155.8
[M+K]+ 221.04756 144.4
[M+H-H2O]+ 165.08166 124.8
[M+HCOO]- 227.08260 156.5
[M+CH3COO]- 241.09825 150.8
[M+Na-2H]- 203.05907 143.9
[M]+ 182.08385 133.6
[M]- 182.08495 133.6
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