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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.06586	133.4
[M+Na]+	187.04780	146.3
[M+NH4]+	182.09240	140.3
[M+K]+	203.02174	140.8
[M-H]-	163.05130	133.4
[M+Na-2H]-	185.03325	139.8
[M]+	164.05803	135.0
[M]-	164.05913	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe