CID 3079304

Brn 4257108

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

C1C2COC3=C(C2=NNC1=O)C=CC(=C3)N

InChI

InChI=1S/C11H11N3O2/c12-7-1-2-8-9(4-7)16-5-6-3-10(15)13-14-11(6)8/h1-2,4,6H,3,5,12H2,(H,13,15)

InChIKey

SEJQDQSBPLOODO-UHFFFAOYSA-N

Compound name

8-amino-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 217.08513 Da
Monoisotopic Mass: 0.0
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]+	218.092406	145.8
[M+Na]+	240.074348	154.1
[M-H]-	216.077854	147.2
[M+NH4]+	235.118953	161.2
[M+K]+	256.048288	150.4
[M+H-H2O]+	200.082390	137.9
[M+HCOO]-	262.083331	160.9
[M+CH3COO]-	276.098981	157.0
[M+Na-2H]-	238.059796	153.8
[M]+	217.08458142	141.2
[M]-	217.08567858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe