CID 57415871

1h,4h-pyrrolo[1,2-b]pyridazin-4-one

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN2C(=C1)C(=O)C=CN2
InChI
InChI=1S/C7H6N2O/c10-7-3-4-8-9-5-1-2-6(7)9/h1-5,8H
InChIKey
QGWOZLJTLRKDOF-UHFFFAOYSA-N
Compound name
1H-pyrrolo[1,2-b]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 121.3
[M+Na]+ 157.03724 132.9
[M-H]- 133.04074 122.8
[M+NH4]+ 152.08184 143.0
[M+K]+ 173.01118 129.4
[M+H-H2O]+ 117.04528 115.1
[M+HCOO]- 179.04622 145.0
[M+CH3COO]- 193.06187 136.2
[M+Na-2H]- 155.02269 131.0
[M]+ 134.04747 121.8
[M]- 134.04857 121.8
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