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

155
Patents

139.03818 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 125.0
[M+Na]+ 162.027398 133.8
[M-H]- 138.030904 124.8
[M+NH4]+ 157.072003 142.8
[M+K]+ 178.001338 132.1
[M+H-H2O]+ 122.035440 118.2
[M+HCOO]- 184.036381 146.9
[M+CH3COO]- 198.052031 171.4
[M+Na-2H]- 160.012846 132.3
[M]+ 139.03763142 122.8
[M]- 139.03872858 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