CID 2771616

Methyl 2,4-dioxo-4-(pyridin-3-yl)butanoate

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

71
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 141.4
[M+Na]+ 230.04238 148.4
[M-H]- 206.04588 143.7
[M+NH4]+ 225.08698 158.5
[M+K]+ 246.01632 147.9
[M+H-H2O]+ 190.05042 134.5
[M+HCOO]- 252.05136 163.0
[M+CH3COO]- 266.06701 184.4
[M+Na-2H]- 228.02783 145.7
[M]+ 207.05261 144.0
[M]- 207.05371 144.0
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