CID 25067380

Ethyl 6-aminopyridazine-3-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CCOC(=O)C1=NN=C(C=C1)N
InChI
InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKey
ZVBFSYSSUMGOKQ-UHFFFAOYSA-N
Compound name
ethyl 6-aminopyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

167.06947 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.7
[M+Na]+ 190.058688 142.1
[M-H]- 166.062194 134.6
[M+NH4]+ 185.103293 151.1
[M+K]+ 206.032628 140.9
[M+H-H2O]+ 150.066730 126.3
[M+HCOO]- 212.067671 156.4
[M+CH3COO]- 226.083321 179.3
[M+Na-2H]- 188.044136 140.4
[M]+ 167.06892142 134.0
[M]- 167.07001858 134.0
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

patents stripe