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

3
Patents

198.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.086596 142.0
[M+Na]+ 221.068538 149.5
[M-H]- 197.072044 145.7
[M+NH4]+ 216.113143 157.9
[M+K]+ 237.042478 146.0
[M+H-H2O]+ 181.076580 133.1
[M+HCOO]- 243.077521 163.8
[M+CH3COO]- 257.093171 183.5
[M+Na-2H]- 219.053986 150.2
[M]+ 198.07877142 141.4
[M]- 198.07986858 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