CID 165993029

8-hydroxy-6-oxaspiro[3.4]octan-5-one

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1CC2(C1)C(COC2=O)O

InChI

InChI=1S/C7H10O3/c8-5-4-10-6(9)7(5)2-1-3-7/h5,8H,1-4H2

InChIKey

ZFJMXPCRGYFOLM-UHFFFAOYSA-N

Compound name

8-hydroxy-6-oxaspiro[3.4]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 Da
Monoisotopic Mass: 0.1
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]+	143.07027	126.9
[M+Na]+	165.05221	131.9
[M+NH4]+	160.09681	132.6
[M+K]+	181.02615	129.9
[M-H]-	141.05571	126.2
[M+Na-2H]-	163.03766	129.1
[M]+	142.06244	126.1
[M]-	142.06354	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.