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

64
Patents

201.0305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03778 138.8
[M+Na]+ 224.01972 148.8
[M-H]- 200.02322 139.8
[M+NH4]+ 219.06432 155.9
[M+K]+ 239.99366 145.7
[M+H-H2O]+ 184.02776 132.2
[M+HCOO]- 246.02870 156.8
[M+CH3COO]- 260.04435 184.4
[M+Na-2H]- 222.00517 144.3
[M]+ 201.02995 141.3
[M]- 201.03105 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