CID 85708379

18539-93-0

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1COC2(O1)CC(=O)C3=CC=CC=C23

InChI

InChI=1S/C11H10O3/c12-10-7-11(13-5-6-14-11)9-4-2-1-3-8(9)10/h1-4H,5-7H2

InChIKey

DSRQEABFLNCFKB-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.06299 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]+	191.070266	136.7
[M+Na]+	213.052208	145.9
[M-H]-	189.055714	145.0
[M+NH4]+	208.096813	160.5
[M+K]+	229.026148	145.6
[M+H-H2O]+	173.060250	132.9
[M+HCOO]-	235.061191	158.2
[M+CH3COO]-	249.076841	151.6
[M+Na-2H]-	211.037656	143.8
[M]+	190.06244142	137.2
[M]-	190.06353858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.