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]+ 233.055676 146.3
[M+Na]+ 255.037618 158.4
[M-H]- 231.041124 149.7
[M+NH4]+ 250.082223 164.3
[M+K]+ 271.011558 155.2
[M+H-H2O]+ 215.045660 133.8
[M+HCOO]- 277.046601 164.0
[M+CH3COO]- 291.062251 199.1
[M+Na-2H]- 253.023066 152.3
[M]+ 232.04785142 145.2
[M]- 232.04894858 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.