CID 318610

3-(pyridine-2-carbonyl)pyridine

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=NC(=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C11H8N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h1-8H
InChIKey
WECOCLXDGWEPGO-UHFFFAOYSA-N
Compound name
pyridin-2-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

184.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 137.4
[M+Na]+ 207.05288 145.3
[M-H]- 183.05638 141.3
[M+NH4]+ 202.09748 153.8
[M+K]+ 223.02682 142.1
[M+H-H2O]+ 167.06092 128.7
[M+HCOO]- 229.06186 159.5
[M+CH3COO]- 243.07751 150.3
[M+Na-2H]- 205.03833 146.1
[M]+ 184.06311 136.4
[M]- 184.06421 136.4
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