CID 248351

6412-87-9

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1CC(=O)C2=CC3=C(C=C21)OCO3

InChI

InChI=1S/C10H8O3/c11-8-2-1-6-3-9-10(4-7(6)8)13-5-12-9/h3-4H,1-2,5H2

InChIKey

LKLNTTMWFRNYLE-UHFFFAOYSA-N

Compound name

5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 176.04735 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]+	177.05463	132.1
[M+Na]+	199.03657	144.1
[M+NH4]+	194.08117	141.9
[M+K]+	215.01051	142.5
[M-H]-	175.04007	136.6
[M+Na-2H]-	197.02202	135.2
[M]+	176.04680	135.0
[M]-	176.04790	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe