CID 177799453

Methyl 5h,6h,7h-pyridazino[3,4-b][1,4]oxazine-3-carboxylate

Structural Information

Molecular Formula
C8H9N3O3
SMILES
COC(=O)C1=NN=C2C(=C1)NCCO2
InChI
InChI=1S/C8H9N3O3/c1-13-8(12)6-4-5-7(11-10-6)14-3-2-9-5/h4,9H,2-3H2,1H3
InChIKey
BFXIQWOROOMGKF-UHFFFAOYSA-N
Compound name
methyl 6,7-dihydro-5H-pyridazino[3,4-b][1,4]oxazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 140.1
[M+Na]+ 218.053608 147.9
[M-H]- 194.057114 139.5
[M+NH4]+ 213.098213 154.2
[M+K]+ 234.027548 146.8
[M+H-H2O]+ 178.061650 131.8
[M+HCOO]- 240.062591 155.4
[M+CH3COO]- 254.078241 178.9
[M+Na-2H]- 216.039056 148.3
[M]+ 195.06384142 139.1
[M]- 195.06493858 139.1
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.