CID 207582

30211-36-0

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

CC1=CC(=O)OC2=CC3=C(C=C12)OCCO3

InChI

InChI=1S/C12H10O4/c1-7-4-12(13)16-9-6-11-10(5-8(7)9)14-2-3-15-11/h4-6H,2-3H2,1H3

InChIKey

STRLWEBIMKGIRV-UHFFFAOYSA-N

Compound name

9-methyl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 218.0579 Da
Monoisotopic Mass: 1.5
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]+	219.06518	142.0
[M+Na]+	241.04712	157.9
[M+NH4]+	236.09172	151.4
[M+K]+	257.02106	151.9
[M-H]-	217.05062	149.3
[M+Na-2H]-	239.03257	147.2
[M]+	218.05735	146.5
[M]-	218.05845	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.