CID 21328000

6-(dimethylamino)pyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CN(C)C1=NN=C(C=C1)C(=O)O
InChI
InChI=1S/C7H9N3O2/c1-10(2)6-4-3-5(7(11)12)8-9-6/h3-4H,1-2H3,(H,11,12)
InChIKey
GERMDLFSDXDXAV-UHFFFAOYSA-N
Compound name
6-(dimethylamino)pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.0
[M+Na]+ 190.05869 141.1
[M-H]- 166.06219 134.5
[M+NH4]+ 185.10329 150.6
[M+K]+ 206.03263 140.7
[M+H-H2O]+ 150.06673 125.7
[M+HCOO]- 212.06767 155.4
[M+CH3COO]- 226.08332 181.6
[M+Na-2H]- 188.04414 139.7
[M]+ 167.06892 133.8
[M]- 167.07002 133.8
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