CID 322129

2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=NC(=C1)CC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H10N2O/c15-12(10-4-3-6-13-9-10)8-11-5-1-2-7-14-11/h1-7,9H,8H2
InChIKey
VXRWCMGYLGCAOZ-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 142.8
[M+Na]+ 221.06854 158.0
[M+NH4]+ 216.11314 151.2
[M+K]+ 237.04248 150.4
[M-H]- 197.07204 146.3
[M+Na-2H]- 219.05399 153.3
[M]+ 198.07877 146.0
[M]- 198.07987 146.0
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