CID 242823

5,7-diazaspiro[3.4]octane-6,8-dione

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1CC2(C1)C(=O)NC(=O)N2

InChI

InChI=1S/C6H8N2O2/c9-4-6(2-1-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)

InChIKey

ILOQJTLRHGYIOU-UHFFFAOYSA-N

Compound name

5,7-diazaspiro[3.4]octane-6,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 140.05858 Da
Monoisotopic Mass: -0.3
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]+	141.06586	129.9
[M+Na]+	163.04780	134.3
[M+NH4]+	158.09240	134.1
[M+K]+	179.02174	132.1
[M-H]-	139.05130	126.1
[M+Na-2H]-	161.03325	131.5
[M]+	140.05803	127.9
[M]-	140.05913	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe