CID 683539

1708-46-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=O)N2

InChI

InChI=1S/C11H10N2O2/c14-10-6-7-11(15)13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)

InChIKey

JXOUKUODPDOMDY-UHFFFAOYSA-N

Compound name

2-benzyl-1H-pyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 202.07423 Da
Monoisotopic Mass: 0.7
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]+	203.08151	141.9
[M+Na]+	225.06345	157.4
[M+NH4]+	220.10805	149.3
[M+K]+	241.03739	150.3
[M-H]-	201.06695	144.5
[M+Na-2H]-	223.04890	151.3
[M]+	202.07368	144.8
[M]-	202.07478	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe