CID 24277241

3,6-dimethylpyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CC(=C(N=N1)C)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-4-3-6(7(10)11)5(2)9-8-4/h3H,1-2H3,(H,10,11)
InChIKey
RDTNGZBVMDDUJF-UHFFFAOYSA-N
Compound name
3,6-dimethylpyridazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.0
[M+Na]+ 175.04780 142.9
[M+NH4]+ 170.09240 137.0
[M+K]+ 191.02174 138.3
[M-H]- 151.05130 129.9
[M+Na-2H]- 173.03325 135.9
[M]+ 152.05803 131.6
[M]- 152.05913 131.6
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