CID 82414987

6-cyclopropylpyridazine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

164.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 138.0
[M+Na]+ 187.047798 148.3
[M-H]- 163.051304 141.9
[M+NH4]+ 182.092403 150.5
[M+K]+ 203.021738 144.7
[M+H-H2O]+ 147.055840 130.3
[M+HCOO]- 209.056781 159.1
[M+CH3COO]- 223.072431 178.3
[M+Na-2H]- 185.033246 144.3
[M]+ 164.05803142 139.6
[M]- 164.05912858 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