CID 389475

Nsc685683

Structural Information

Molecular Formula
C11H8N2O4
SMILES
CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C#N
InChI
InChI=1S/C11H8N2O4/c1-2-16-10(15)11(6-12)8-3-4-13-5-7(8)9(14)17-11/h3-5H,2H2,1H3
InChIKey
YXEZYFGYNMTGDW-UHFFFAOYSA-N
Compound name
ethyl 1-cyano-3-oxofuro[3,4-c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 146.3
[M+Na]+ 255.03762 158.4
[M-H]- 231.04112 149.7
[M+NH4]+ 250.08222 164.3
[M+K]+ 271.01156 155.2
[M+H-H2O]+ 215.04566 133.8
[M+HCOO]- 277.04660 164.0
[M+CH3COO]- 291.06225 199.1
[M+Na-2H]- 253.02307 152.3
[M]+ 232.04785 145.2
[M]- 232.04895 145.2
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.