CID 89183249

1408335-07-8

Structural Information

Molecular Formula
C8H8N2O2
SMILES
COC(=O)C1=NN=C(C=C1)C=C
InChI
InChI=1S/C8H8N2O2/c1-3-6-4-5-7(10-9-6)8(11)12-2/h3-5H,1H2,2H3
InChIKey
CLWOXEYNXJDTMZ-UHFFFAOYSA-N
Compound name
methyl 6-ethenylpyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 131.9
[M+Na]+ 187.04780 141.2
[M-H]- 163.05130 133.2
[M+NH4]+ 182.09240 150.1
[M+K]+ 203.02174 139.5
[M+H-H2O]+ 147.05584 124.9
[M+HCOO]- 209.05678 154.1
[M+CH3COO]- 223.07243 177.2
[M+Na-2H]- 185.03325 139.0
[M]+ 164.05803 133.7
[M]- 164.05913 133.7
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