CID 73012699

4-amino-6-chloropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C5H4ClN3O2
SMILES
C1=C(C(=NN=C1Cl)C(=O)O)N
InChI
InChI=1S/C5H4ClN3O2/c6-3-1-2(7)4(5(10)11)9-8-3/h1H,(H2,7,8)(H,10,11)
InChIKey
KTJCYRAYCFMZKL-UHFFFAOYSA-N
Compound name
4-amino-6-chloropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.9992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.006476 129.9
[M+Na]+ 195.988418 140.3
[M-H]- 171.991924 129.8
[M+NH4]+ 191.033023 147.4
[M+K]+ 211.962358 136.8
[M+H-H2O]+ 155.996460 124.1
[M+HCOO]- 217.997401 147.1
[M+CH3COO]- 232.013051 176.5
[M+Na-2H]- 193.973866 136.0
[M]+ 172.99865142 129.9
[M]- 172.99974858 129.9
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.