CID 12325278

2-furyl(1-methyl-1h-imidazol-2-yl)methanone

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C=CN=C1C(=O)C2=CC=CO2
InChI
InChI=1S/C9H8N2O2/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6H,1H3
InChIKey
LTOLEXCOQNYRSH-UHFFFAOYSA-N
Compound name
furan-2-yl-(1-methylimidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.8
[M+Na]+ 199.04780 143.3
[M-H]- 175.05130 138.7
[M+NH4]+ 194.09240 152.5
[M+K]+ 215.02174 142.8
[M+H-H2O]+ 159.05584 125.8
[M+HCOO]- 221.05678 157.9
[M+CH3COO]- 235.07243 177.6
[M+Na-2H]- 197.03325 138.1
[M]+ 176.05803 136.7
[M]- 176.05913 136.7
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