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

43
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 129.0
[M+Na]+ 175.047798 138.8
[M-H]- 151.051304 129.4
[M+NH4]+ 170.092403 147.2
[M+K]+ 191.021738 137.1
[M+H-H2O]+ 135.055840 122.5
[M+HCOO]- 197.056781 149.8
[M+CH3COO]- 211.072431 174.3
[M+Na-2H]- 173.033246 135.2
[M]+ 152.05803142 129.6
[M]- 152.05912858 129.6
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