CID 7147291

3-(1h-imidazole-2-carbonyl)pyridine

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC(=CN=C1)C(=O)C2=NC=CN2
InChI
InChI=1S/C9H7N3O/c13-8(9-11-4-5-12-9)7-2-1-3-10-6-7/h1-6H,(H,11,12)
InChIKey
PBBSMRSSNMUEEJ-UHFFFAOYSA-N
Compound name
1H-imidazol-2-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

173.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 135.6
[M+Na]+ 196.04813 148.5
[M+NH4]+ 191.09273 142.9
[M+K]+ 212.02207 144.6
[M-H]- 172.05163 136.8
[M+Na-2H]- 194.03358 143.9
[M]+ 173.05836 137.6
[M]- 173.05946 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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