CID 2771617

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 141.4
[M+Na]+ 230.042378 148.4
[M-H]- 206.045884 143.7
[M+NH4]+ 225.086983 158.5
[M+K]+ 246.016318 147.9
[M+H-H2O]+ 190.050420 134.5
[M+HCOO]- 252.051361 163.0
[M+CH3COO]- 266.067011 184.4
[M+Na-2H]- 228.027826 145.7
[M]+ 207.05261142 144.0
[M]- 207.05370858 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