CID 7147291

890094-97-0

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

19
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 134.6
[M+Na]+ 196.04813 142.8
[M-H]- 172.05163 136.1
[M+NH4]+ 191.09273 151.3
[M+K]+ 212.02207 139.4
[M+H-H2O]+ 156.05617 125.9
[M+HCOO]- 218.05711 155.3
[M+CH3COO]- 232.07276 147.1
[M+Na-2H]- 194.03358 141.0
[M]+ 173.05836 132.4
[M]- 173.05946 132.4
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

patents stripe