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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.081506	142.1
[M+Na]+	225.063448	151.5
[M-H]-	201.066954	142.5
[M+NH4]+	220.108053	161.3
[M+K]+	241.037388	146.5
[M+H-H2O]+	185.071490	135.6
[M+HCOO]-	247.072431	158.5
[M+CH3COO]-	261.088081	154.1
[M+Na-2H]-	223.048896	147.7
[M]+	202.07368142	138.9
[M]-	202.07477858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.