CID 596231

1796-83-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

195.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 137.8
[M+Na]+ 218.04238 146.2
[M-H]- 194.04588 140.5
[M+NH4]+ 213.08698 155.9
[M+K]+ 234.01632 146.1
[M+H-H2O]+ 178.05042 131.1
[M+HCOO]- 240.05136 160.5
[M+CH3COO]- 254.06701 181.9
[M+Na-2H]- 216.02783 143.1
[M]+ 195.05261 141.6
[M]- 195.05371 141.6
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