CID 12970938

1762-45-4

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3
InChIKey
NJAYXDBLSXUUGN-UHFFFAOYSA-N
Compound name
methyl 6-(5-methoxycarbonylpyridin-2-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

272.0797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 159.1
[M+Na]+ 295.06892 167.3
[M-H]- 271.07242 163.6
[M+NH4]+ 290.11352 172.3
[M+K]+ 311.04286 165.2
[M+H-H2O]+ 255.07696 149.9
[M+HCOO]- 317.07790 180.0
[M+CH3COO]- 331.09355 196.7
[M+Na-2H]- 293.05437 163.6
[M]+ 272.07915 162.8
[M]- 272.08025 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe