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]+ 181.07201 134.5
[M+Na]+ 203.05395 146.9
[M-H]- 179.05745 133.5
[M+NH4]+ 198.09855 151.7
[M+K]+ 219.02789 143.5
[M+H-H2O]+ 163.06199 126.5
[M+HCOO]- 225.06293 155.5
[M+CH3COO]- 239.07858 147.9
[M+Na-2H]- 201.03940 143.1
[M]+ 180.06418 137.8
[M]- 180.06528 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.