CID 160440

1,5-dioxaspiro[2.5]octane

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1CC2(COC1)CO2

InChI

InChI=1S/C6H10O2/c1-2-6(5-8-6)4-7-3-1/h1-5H2

InChIKey

ASMCYZCLGKOSEL-UHFFFAOYSA-N

Compound name

1,7-dioxaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 114.06808 Da
Monoisotopic Mass: 0.1
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]+	115.075356	122.6
[M+Na]+	137.057298	130.9
[M-H]-	113.060804	130.5
[M+NH4]+	132.101903	139.8
[M+K]+	153.031238	133.8
[M+H-H2O]+	97.065340	117.2
[M+HCOO]-	159.066281	142.2
[M+CH3COO]-	173.081931	168.9
[M+Na-2H]-	135.042746	133.9
[M]+	114.06753142	123.3
[M]-	114.06862858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe