CID 11389559

1-pyrazolo[1,5-b]pyridazin-3-ylethanone

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)C1=C2C=CC=NN2N=C1
InChI
InChI=1S/C8H7N3O/c1-6(12)7-5-10-11-8(7)3-2-4-9-11/h2-5H,1H3
InChIKey
XAHXLPHHSIIXPR-UHFFFAOYSA-N
Compound name
1-pyrazolo[1,5-b]pyridazin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

161.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.2
[M+Na]+ 184.04813 141.5
[M-H]- 160.05163 131.6
[M+NH4]+ 179.09273 150.0
[M+K]+ 200.02207 139.0
[M+H-H2O]+ 144.05617 122.6
[M+HCOO]- 206.05711 152.7
[M+CH3COO]- 220.07276 144.5
[M+Na-2H]- 182.03358 138.5
[M]+ 161.05836 132.8
[M]- 161.05946 132.8
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

patents stripe