CID 50988036

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

Structural Information

Molecular Formula
C12H10N2
SMILES
C#CCN1C=CN=C1C2=CC=CC=C2
InChI
InChI=1S/C12H10N2/c1-2-9-14-10-8-13-12(14)11-6-4-3-5-7-11/h1,3-8,10H,9H2
InChIKey
YNDUPQAWCFAYOZ-UHFFFAOYSA-N
Compound name
2-phenyl-1-prop-2-ynylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.091676 139.5
[M+Na]+ 205.073618 150.3
[M-H]- 181.077124 140.8
[M+NH4]+ 200.118223 155.8
[M+K]+ 221.047558 144.4
[M+H-H2O]+ 165.081660 124.8
[M+HCOO]- 227.082601 156.5
[M+CH3COO]- 241.098251 150.8
[M+Na-2H]- 203.059066 143.9
[M]+ 182.08385142 133.6
[M]- 182.08494858 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

No patent data available for this compound.