CID 59580147

Methyl imidazo[1,2-b]pyridazine-6-carboxylate

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=NN2C=CN=C2C=C1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-2-3-7-9-4-5-11(7)10-6/h2-5H,1H3
InChIKey
MMNCMZRUTZBGOH-UHFFFAOYSA-N
Compound name
methyl imidazo[1,2-b]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

177.05383 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.4
[M+Na]+ 200.043048 144.6
[M-H]- 176.046554 134.8
[M+NH4]+ 195.087653 152.5
[M+K]+ 216.016988 142.6
[M+H-H2O]+ 160.051090 125.6
[M+HCOO]- 222.052031 156.1
[M+CH3COO]- 236.067681 178.2
[M+Na-2H]- 198.028496 141.7
[M]+ 177.05328142 137.3
[M]- 177.05437858 137.3
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