CID 135667596

1h,6h,7h-pyrrolo[2,3-d]pyridazin-7-one

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CNC2=C1C=NNC2=O
InChI
InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)3-8-9-6/h1-3,7H,(H,9,10)
InChIKey
GCZDEDRWKMORDZ-UHFFFAOYSA-N
Compound name
1,6-dihydropyrrolo[2,3-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

135.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 122.3
[M+Na]+ 158.03248 134.0
[M-H]- 134.03598 121.2
[M+NH4]+ 153.07708 141.9
[M+K]+ 174.00642 129.6
[M+H-H2O]+ 118.04052 115.6
[M+HCOO]- 180.04146 143.5
[M+CH3COO]- 194.05711 136.2
[M+Na-2H]- 156.01793 132.0
[M]+ 135.04271 121.2
[M]- 135.04381 121.2
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