CID 208337

32002-25-8

Structural Information

Molecular Formula
C7H8N4O2
SMILES
CCOC1=CC(=O)C2=NN=CN2N1
InChI
InChI=1S/C7H8N4O2/c1-2-13-6-3-5(12)7-9-8-4-11(7)10-6/h3-4,10H,2H2,1H3
InChIKey
BGJGKWYENWOHQP-UHFFFAOYSA-N
Compound name
6-ethoxy-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06473 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.072006 134.5
[M+Na]+ 203.053948 146.9
[M-H]- 179.057454 133.5
[M+NH4]+ 198.098553 151.7
[M+K]+ 219.027888 143.5
[M+H-H2O]+ 163.061990 126.5
[M+HCOO]- 225.062931 155.5
[M+CH3COO]- 239.078581 147.9
[M+Na-2H]- 201.039396 143.1
[M]+ 180.06418142 137.8
[M]- 180.06527858 137.8
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.