CID 2771616

23424-36-4

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC(=O)C(=O)CC(=O)C1=CN=CC=C1
InChI
InChI=1S/C10H9NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6H,5H2,1H3
InChIKey
RDKSBIHJNITCTI-UHFFFAOYSA-N
Compound name
methyl 2,4-dioxo-4-pyridin-3-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

207.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 142.8
[M+Na]+ 230.04238 153.5
[M+NH4]+ 225.08698 148.5
[M+K]+ 246.01632 149.9
[M-H]- 206.04588 141.9
[M+Na-2H]- 228.02783 147.7
[M]+ 207.05261 143.7
[M]- 207.05371 143.7
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