CID 57786714

Ethyl 3-amino-6-chloropyridazine-4-carboxylate

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
CCOC(=O)C1=CC(=NN=C1N)Cl
InChI
InChI=1S/C7H8ClN3O2/c1-2-13-7(12)4-3-5(8)10-11-6(4)9/h3H,2H2,1H3,(H2,9,11)
InChIKey
MNDSXVIOHQUROW-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-chloropyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

201.0305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.037776 138.8
[M+Na]+ 224.019718 148.8
[M-H]- 200.023224 139.8
[M+NH4]+ 219.064323 155.9
[M+K]+ 239.993658 145.7
[M+H-H2O]+ 184.027760 132.2
[M+HCOO]- 246.028701 156.8
[M+CH3COO]- 260.044351 184.4
[M+Na-2H]- 222.005166 144.3
[M]+ 201.02995142 141.3
[M]- 201.03104858 141.3
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