CID 14596114

Diethyl pyridazine-3,4-dicarboxylate

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCOC(=O)C1=C(N=NC=C1)C(=O)OCC
InChI
InChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-6-11-12-8(7)10(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKey
OKTDNBVRYCDLQR-UHFFFAOYSA-N
Compound name
diethyl pyridazine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 147.0
[M+Na]+ 247.068928 154.9
[M-H]- 223.072434 148.0
[M+NH4]+ 242.113533 162.5
[M+K]+ 263.042868 154.4
[M+H-H2O]+ 207.076970 139.1
[M+HCOO]- 269.077911 167.9
[M+CH3COO]- 283.093561 187.6
[M+Na-2H]- 245.054376 151.7
[M]+ 224.07916142 151.6
[M]- 224.08025858 151.6
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