CID 95427

105-02-2

Structural Information

Molecular Formula

C₁₆H₂₆O₆

SMILES

C1CC(OC1)COC(=O)CCCCC(=O)OCC2CCCO2

InChI

InChI=1S/C16H26O6/c17-15(21-11-13-5-3-9-19-13)7-1-2-8-16(18)22-12-14-6-4-10-20-14/h13-14H,1-12H2

InChIKey

DMNQTEVDCGAATA-UHFFFAOYSA-N

Compound name

bis(oxolan-2-ylmethyl) hexanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 47
Patents: 314.17294 Da
Monoisotopic Mass: 1.4
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]+	315.18022	175.8
[M+Na]+	337.16216	180.8
[M+NH4]+	332.20676	180.7
[M+K]+	353.13610	181.3
[M-H]-	313.16566	177.7
[M+Na-2H]-	335.14761	175.0
[M]+	314.17239	176.4
[M]-	314.17349	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe