CID 3073598

1-methyl-2-(benzofuran-2-yl)imidazole hydrochloride

Structural Information

Molecular Formula
C12H10N2O
SMILES
CN1C=CN=C1C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C12H10N2O/c1-14-7-6-13-12(14)11-8-9-4-2-3-5-10(9)15-11/h2-8H,1H3
InChIKey
LPDGYFFMCHPGRE-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-yl)-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

198.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 139.2
[M+Na]+ 221.06854 151.1
[M-H]- 197.07204 146.3
[M+NH4]+ 216.11314 159.5
[M+K]+ 237.04248 148.6
[M+H-H2O]+ 181.07658 132.3
[M+HCOO]- 243.07752 163.9
[M+CH3COO]- 257.09317 154.4
[M+Na-2H]- 219.05399 145.9
[M]+ 198.07877 143.4
[M]- 198.07987 143.4
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