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

19
Patents

135.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 122.3
[M+Na]+ 158.032478 134.0
[M-H]- 134.035984 121.2
[M+NH4]+ 153.077083 141.9
[M+K]+ 174.006418 129.6
[M+H-H2O]+ 118.040520 115.6
[M+HCOO]- 180.041461 143.5
[M+CH3COO]- 194.057111 136.2
[M+Na-2H]- 156.017926 132.0
[M]+ 135.04271142 121.2
[M]- 135.04380858 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