CID 389474

Nsc685682

Structural Information

Molecular Formula
C12H11NO5
SMILES
CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C(=O)C
InChI
InChI=1S/C12H11NO5/c1-3-17-11(16)12(7(2)14)9-4-5-13-6-8(9)10(15)18-12/h4-6H,3H2,1-2H3
InChIKey
BMTBQIJPDQTRAB-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-3-oxofuro[3,4-c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 150.1
[M+Na]+ 272.05294 159.4
[M-H]- 248.05644 154.5
[M+NH4]+ 267.09754 169.5
[M+K]+ 288.02688 159.3
[M+H-H2O]+ 232.06098 144.7
[M+HCOO]- 294.06192 170.3
[M+CH3COO]- 308.07757 191.6
[M+Na-2H]- 270.03839 155.2
[M]+ 249.06317 155.3
[M]- 249.06427 155.3
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

No patent data available for this compound.