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 142.0
[M+Na]+ 221.06854 149.5
[M-H]- 197.07204 145.7
[M+NH4]+ 216.11314 157.9
[M+K]+ 237.04248 146.0
[M+H-H2O]+ 181.07658 133.1
[M+HCOO]- 243.07752 163.8
[M+CH3COO]- 257.09317 183.5
[M+Na-2H]- 219.05399 150.2
[M]+ 198.07877 141.4
[M]- 198.07987 141.4
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