CID 10081489

123875-20-7

Structural Information

Molecular Formula

C₁₁H₈N₂O₂

SMILES

C1C2=CC(=O)NN=C2C3=CC=CC=C3O1

InChI

InChI=1S/C11H8N2O2/c14-10-5-7-6-15-9-4-2-1-3-8(9)11(7)13-12-10/h1-5H,6H2,(H,12,14)

InChIKey

LZUNIVOBPREPEI-UHFFFAOYSA-N

Compound name

2,5-dihydrochromeno[4,3-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 200.05858 Da
Monoisotopic Mass: 0.8
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]+	201.06586	138.7
[M+Na]+	223.04780	148.9
[M-H]-	199.05130	141.0
[M+NH4]+	218.09240	155.3
[M+K]+	239.02174	145.3
[M+H-H2O]+	183.05584	130.8
[M+HCOO]-	245.05678	156.3
[M+CH3COO]-	259.07243	151.4
[M+Na-2H]-	221.03325	149.9
[M]+	200.05803	138.1
[M]-	200.05913	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe