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

100
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 121.3
[M+Na]+ 157.037238 132.9
[M-H]- 133.040744 122.8
[M+NH4]+ 152.081843 143.0
[M+K]+ 173.011178 129.4
[M+H-H2O]+ 117.045280 115.1
[M+HCOO]- 179.046221 145.0
[M+CH3COO]- 193.061871 136.2
[M+Na-2H]- 155.022686 131.0
[M]+ 134.04747142 121.8
[M]- 134.04856858 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