CID 74890384

Methyl 3-aminopyridazine-4-carboxylate

Structural Information

Molecular Formula
C6H7N3O2
SMILES
COC(=O)C1=C(N=NC=C1)N
InChI
InChI=1S/C6H7N3O2/c1-11-6(10)4-2-3-8-9-5(4)7/h2-3H,1H3,(H2,7,9)
InChIKey
XEYGDGLCYQQXJS-UHFFFAOYSA-N
Compound name
methyl 3-aminopyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

153.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.1
[M+Na]+ 176.04305 138.0
[M-H]- 152.04655 130.2
[M+NH4]+ 171.08765 147.1
[M+K]+ 192.01699 137.0
[M+H-H2O]+ 136.05109 121.9
[M+HCOO]- 198.05203 152.2
[M+CH3COO]- 212.06768 176.3
[M+Na-2H]- 174.02850 136.4
[M]+ 153.05328 129.0
[M]- 153.05438 129.0
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

No patent data available for this compound.