CID 2998413

852400-00-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)O

InChI

InChI=1S/C10H14N2O4/c13-7(14)3-6-12-8(15)10(11-9(12)16)4-1-2-5-10/h1-6H2,(H,11,16)(H,13,14)

InChIKey

MFINOZHKRKAUEO-UHFFFAOYSA-N

Compound name

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 226.09535 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]+	227.102626	150.2
[M+Na]+	249.084568	156.9
[M-H]-	225.088074	150.5
[M+NH4]+	244.129173	169.8
[M+K]+	265.058508	154.3
[M+H-H2O]+	209.092610	144.6
[M+HCOO]-	271.093551	166.3
[M+CH3COO]-	285.109201	181.0
[M+Na-2H]-	247.070016	150.0
[M]+	226.09480142	145.9
[M]-	226.09589858	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.