CID 9089

2,6-dioxaspiro[3.3]heptane

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

C1C2(CO1)COC2

InChI

InChI=1S/C5H8O2/c1-5(2-6-1)3-7-4-5/h1-4H2

InChIKey

XQLZHIBLSSHZAL-UHFFFAOYSA-N

Compound name

2,6-dioxaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 101
Patents: 100.05243 Da
Monoisotopic Mass: -0.4
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]+	101.05971	116.9
[M+Na]+	123.04165	119.1
[M+NH4]+	118.08625	119.5
[M+K]+	139.01559	117.5
[M-H]-	99.045154	116.1
[M+Na-2H]-	121.02710	118.9
[M]+	100.05188	114.9
[M]-	100.05298	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe