CID 45284

Brn 0123069

Structural Information

Molecular Formula

C₁₃H₂₂O₃

SMILES

C1CC(OC1)CCC2CCC3(O2)CCCO3

InChI

InChI=1S/C13H22O3/c1-3-11(14-9-1)4-5-12-6-8-13(16-12)7-2-10-15-13/h11-12H,1-10H2

InChIKey

LOVYECFMRPYLLZ-UHFFFAOYSA-N

Compound name

2-[2-(oxolan-2-yl)ethyl]-1,6-dioxaspiro[4.4]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.15689 Da
Monoisotopic Mass: 2.1
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]+	227.164166	153.3
[M+Na]+	249.146108	156.8
[M-H]-	225.149614	162.4
[M+NH4]+	244.190713	173.9
[M+K]+	265.120048	158.6
[M+H-H2O]+	209.154150	149.9
[M+HCOO]-	271.155091	170.5
[M+CH3COO]-	285.170741	165.4
[M+Na-2H]-	247.131556	154.6
[M]+	226.15634142	150.4
[M]-	226.15743858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.