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 140.3
[M-H]- 171.99192 129.8
[M+NH4]+ 191.03302 147.4
[M+K]+ 211.96236 136.8
[M+H-H2O]+ 155.99646 124.1
[M+HCOO]- 217.99740 147.1
[M+CH3COO]- 232.01305 176.5
[M+Na-2H]- 193.97387 136.0
[M]+ 172.99865 129.9
[M]- 172.99975 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.