CID 66673257

4-chloro-1,5-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H7ClN2O3
SMILES
CC1=C(C(=NN(C1=O)C)C(=O)O)Cl
InChI
InChI=1S/C7H7ClN2O3/c1-3-4(8)5(7(12)13)9-10(2)6(3)11/h1-2H3,(H,12,13)
InChIKey
RAVCJZDKYVGCLC-UHFFFAOYSA-N
Compound name
4-chloro-1,5-dimethyl-6-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

202.01453 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02181 134.4
[M+Na]+ 225.00375 146.8
[M-H]- 201.00725 135.4
[M+NH4]+ 220.04835 151.9
[M+K]+ 240.97769 143.3
[M+H-H2O]+ 185.01179 129.1
[M+HCOO]- 247.01273 150.9
[M+CH3COO]- 261.02838 182.0
[M+Na-2H]- 222.98920 138.9
[M]+ 202.01398 138.4
[M]- 202.01508 138.4
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