CID 2747085

2-oxo-6-(pyridin-2-yl)-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H7N3O
SMILES
C1=CC=NC(=C1)C2=CC=C(C(=O)N2)C#N
InChI
InChI=1S/C11H7N3O/c12-7-8-4-5-10(14-11(8)15)9-3-1-2-6-13-9/h1-6H,(H,14,15)
InChIKey
SYIROVGISVODAH-UHFFFAOYSA-N
Compound name
2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.066186 143.3
[M+Na]+ 220.048128 154.4
[M-H]- 196.051634 144.9
[M+NH4]+ 215.092733 157.1
[M+K]+ 236.022068 148.6
[M+H-H2O]+ 180.056170 128.4
[M+HCOO]- 242.057111 160.9
[M+CH3COO]- 256.072761 154.1
[M+Na-2H]- 218.033576 150.0
[M]+ 197.05836142 136.4
[M]- 197.05945858 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

No literature data available for this compound.

Patent stripe

patents stripe