CID 3052616

69099-74-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1C2CC(=O)NN=C2C3=CC=CC=C31

InChI

InChI=1S/C11H10N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,8H,5-6H2,(H,12,14)

InChIKey

JUWKFPCTXSBEAD-UHFFFAOYSA-N

Compound name

2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 186.07932 Da
Monoisotopic Mass: 1.0
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]+	187.08660	139.4
[M+Na]+	209.06854	152.4
[M+NH4]+	204.11314	148.7
[M+K]+	225.04248	147.1
[M-H]-	185.07204	140.9
[M+Na-2H]-	207.05399	144.3
[M]+	186.07877	141.5
[M]-	186.07987	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe