CID 4441237

85281-85-2

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

C1CCC2(CC1)OC3C(O2)C(=O)OC3O

InChI

InChI=1S/C10H14O5/c11-8-6-7(9(12)13-8)15-10(14-6)4-2-1-3-5-10/h6-8,11H,1-5H2

InChIKey

GHGRKHAVPBZSIH-UHFFFAOYSA-N

Compound name

6-hydroxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.08412 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]+	215.091396	142.4
[M+Na]+	237.073338	149.1
[M-H]-	213.076844	149.1
[M+NH4]+	232.117943	163.0
[M+K]+	253.047278	150.5
[M+H-H2O]+	197.081380	139.7
[M+HCOO]-	259.082321	157.4
[M+CH3COO]-	273.097971	155.4
[M+Na-2H]-	235.058786	147.4
[M]+	214.08357142	140.4
[M]-	214.08466858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe