CID 849554

Pyridin-2-yl(pyridin-4-yl)methanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 138.3
[M+Na]+ 207.05288 153.6
[M+NH4]+ 202.09748 146.8
[M+K]+ 223.02682 146.3
[M-H]- 183.05638 141.8
[M+Na-2H]- 205.03833 149.1
[M]+ 184.06311 141.5
[M]- 184.06421 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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