CID 12200479

6-aminopyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=CC(=NN=C1C(=O)O)N
InChI
InChI=1S/C5H5N3O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H2,6,8)(H,9,10)
InChIKey
OTXZCRCTNZCHKJ-UHFFFAOYSA-N
Compound name
6-aminopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

139.03818 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 125.0
[M+Na]+ 162.02740 133.8
[M-H]- 138.03090 124.8
[M+NH4]+ 157.07200 142.8
[M+K]+ 178.00134 132.1
[M+H-H2O]+ 122.03544 118.2
[M+HCOO]- 184.03638 146.9
[M+CH3COO]- 198.05203 171.4
[M+Na-2H]- 160.01285 132.3
[M]+ 139.03763 122.8
[M]- 139.03873 122.8
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