CID 79549

5453-67-8

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC(=O)C1=NC(=CC=C1)C(=O)OC
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3
InChIKey
SNQQJEJPJMXYTR-UHFFFAOYSA-N
Compound name
dimethyl pyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

390
Patents

195.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.4
[M+Na]+ 218.04238 151.1
[M+NH4]+ 213.08698 145.7
[M+K]+ 234.01632 147.0
[M-H]- 194.04588 139.0
[M+Na-2H]- 216.02783 144.7
[M]+ 195.05261 140.7
[M]- 195.05371 140.7
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