CID 331550

7-methoxy-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

COC1=CC2(CCC(=O)O2)C=CC1=O

InChI

InChI=1S/C10H10O4/c1-13-8-6-10(4-2-7(8)11)5-3-9(12)14-10/h2,4,6H,3,5H2,1H3

InChIKey

UGISCYWZMNGZNT-UHFFFAOYSA-N

Compound name

7-methoxy-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 194.0579 Da
Monoisotopic Mass: 0.6
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]+	195.065176	136.0
[M+Na]+	217.047118	145.2
[M-H]-	193.050624	143.0
[M+NH4]+	212.091723	158.4
[M+K]+	233.021058	144.9
[M+H-H2O]+	177.055160	131.4
[M+HCOO]-	239.056101	158.5
[M+CH3COO]-	253.071751	179.6
[M+Na-2H]-	215.032566	142.5
[M]+	194.05735142	137.1
[M]-	194.05844858	137.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.