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]+ 174.00648 129.9
[M+Na]+ 195.98842 142.4
[M+NH4]+ 191.03302 136.8
[M+K]+ 211.96236 138.1
[M-H]- 171.99192 129.9
[M+Na-2H]- 193.97387 135.7
[M]+ 172.99865 131.6
[M]- 172.99975 131.6
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.