CID 14789039

132435-30-4

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CC2CC3(C1CC2=O)OCCO3

InChI

InChI=1S/C10H14O3/c11-9-5-8-2-1-7(9)6-10(8)12-3-4-13-10/h7-8H,1-6H2

InChIKey

PAEHPXBPMYLKFT-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 182.0943 Da
Monoisotopic Mass: 0.3
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]+	183.10158	134.9
[M+Na]+	205.08352	144.4
[M+NH4]+	200.12812	147.3
[M+K]+	221.05746	138.8
[M-H]-	181.08702	136.6
[M+Na-2H]-	203.06897	133.5
[M]+	182.09375	136.8
[M]-	182.09485	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe