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]+ 165.065856 131.9
[M+Na]+ 187.047798 141.2
[M-H]- 163.051304 133.2
[M+NH4]+ 182.092403 150.1
[M+K]+ 203.021738 139.5
[M+H-H2O]+ 147.055840 124.9
[M+HCOO]- 209.056781 154.1
[M+CH3COO]- 223.072431 177.2
[M+Na-2H]- 185.033246 139.0
[M]+ 164.05803142 133.7
[M]- 164.05912858 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