CID 16227911

Methyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate

Structural Information

Molecular Formula
C8H6N2O3
SMILES
COC(=O)C1=CNC(=O)C(=C1)C#N
InChI
InChI=1S/C8H6N2O3/c1-13-8(12)6-2-5(3-9)7(11)10-4-6/h2,4H,1H3,(H,10,11)
InChIKey
LVRFNIGGWFTAGC-UHFFFAOYSA-N
Compound name
methyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

178.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 136.1
[M+Na]+ 201.02706 147.7
[M+NH4]+ 196.07166 139.2
[M+K]+ 217.00100 140.1
[M-H]- 177.03056 128.7
[M+Na-2H]- 199.01251 138.9
[M]+ 178.03729 134.6
[M]- 178.03839 134.6
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