CID 118946492

5-cyclopropylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1CC1C2=CC(=NN=C2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-8(12)7-3-6(4-9-10-7)5-1-2-5/h3-5H,1-2H2,(H,11,12)
InChIKey
GFZPRBUSSIXTOC-UHFFFAOYSA-N
Compound name
5-cyclopropylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 138.0
[M+Na]+ 187.04780 148.3
[M-H]- 163.05130 141.9
[M+NH4]+ 182.09240 150.5
[M+K]+ 203.02174 144.7
[M+H-H2O]+ 147.05584 130.3
[M+HCOO]- 209.05678 159.1
[M+CH3COO]- 223.07243 178.3
[M+Na-2H]- 185.03325 144.3
[M]+ 164.05803 139.6
[M]- 164.05913 139.6
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

patents stripe