CID 131259457

2092300-49-5

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CN=NC(=C1C(=O)OC)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-4-3-9-10-6(8)5(4)7(11)12-2/h3H,1-2H3
InChIKey
AMMLBZCYTBOEQN-UHFFFAOYSA-N
Compound name
methyl 3-chloro-5-methylpyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0196 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 132.9
[M+Na]+ 209.008818 143.9
[M-H]- 185.012324 134.5
[M+NH4]+ 204.053423 151.4
[M+K]+ 224.982758 141.3
[M+H-H2O]+ 169.016860 126.8
[M+HCOO]- 231.017801 150.6
[M+CH3COO]- 245.033451 180.1
[M+Na-2H]- 206.994266 139.4
[M]+ 186.01905142 137.2
[M]- 186.02014858 137.2
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

No patent data available for this compound.