CID 121552890

1,3-dimethyl-1h-pyrazolo[3,4-d]pyridazin-7-ol

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=NN(C2=C1C=NNC2=O)C
InChI
InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)
InChIKey
OPCFDCSZKUXVME-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

164.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 132.2
[M+Na]+ 187.05903 145.7
[M-H]- 163.06253 131.6
[M+NH4]+ 182.10363 150.5
[M+K]+ 203.03297 141.7
[M+H-H2O]+ 147.06707 124.8
[M+HCOO]- 209.06801 153.1
[M+CH3COO]- 223.08366 146.2
[M+Na-2H]- 185.04448 140.0
[M]+ 164.06926 134.5
[M]- 164.07036 134.5
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