CID 3087509

2,4,4a,5-tetrahydro-7-hydroxy-3h-indeno(1,2-c)pyridazin-3-one

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1C2CC(=O)NN=C2C3=C1C=C(C=C3)O
InChI
InChI=1S/C11H10N2O2/c14-8-1-2-9-6(4-8)3-7-5-10(15)12-13-11(7)9/h1-2,4,7,14H,3,5H2,(H,12,15)
InChIKey
HRUFLRSTTUAWHE-UHFFFAOYSA-N
Compound name
7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 142.1
[M+Na]+ 225.06345 151.5
[M-H]- 201.06695 142.5
[M+NH4]+ 220.10805 161.3
[M+K]+ 241.03739 146.5
[M+H-H2O]+ 185.07149 135.6
[M+HCOO]- 247.07243 158.5
[M+CH3COO]- 261.08808 154.1
[M+Na-2H]- 223.04890 147.7
[M]+ 202.07368 138.9
[M]- 202.07478 138.9
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

No patent data available for this compound.