CID 7147289

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.05891 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 134.6
[M+Na]+ 196.048128 142.8
[M-H]- 172.051634 136.1
[M+NH4]+ 191.092733 151.3
[M+K]+ 212.022068 139.4
[M+H-H2O]+ 156.056170 125.9
[M+HCOO]- 218.057111 155.3
[M+CH3COO]- 232.072761 147.1
[M+Na-2H]- 194.033576 141.0
[M]+ 173.05836142 132.4
[M]- 173.05945858 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

No literature data available for this compound.

Patent stripe

patents stripe