CID 2734289

1010-26-0

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCC2(CC1)CC(=O)OC(=O)C2

InChI

InChI=1S/C10H14O3/c11-8-6-10(7-9(12)13-8)4-2-1-3-5-10/h1-7H2

InChIKey

XNDSIASQMRYFSW-UHFFFAOYSA-N

Compound name

3-oxaspiro[5.5]undecane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 182.0943 Da
Monoisotopic Mass: 2.1
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]+	183.10158	140.0
[M+Na]+	205.08352	150.8
[M+NH4]+	200.12812	150.2
[M+K]+	221.05746	143.3
[M-H]-	181.08702	144.0
[M+Na-2H]-	203.06897	145.9
[M]+	182.09375	142.6
[M]-	182.09485	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe