CID 3032487

1,4-dioxacyclotetradecane-5,14-dione

Structural Information

Molecular Formula
C12H20O4
SMILES
C1CCCCC(=O)OCCOC(=O)CCC1
InChI
InChI=1S/C12H20O4/c13-11-7-5-3-1-2-4-6-8-12(14)16-10-9-15-11/h1-10H2
InChIKey
XFQHIELVPOKJIM-UHFFFAOYSA-N
Compound name
1,4-dioxacyclotetradecane-5,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

662
Patents

228.13615 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 149.3
[M+Na]+ 251.12537 158.4
[M+NH4]+ 246.16997 155.4
[M+K]+ 267.09931 153.8
[M-H]- 227.12887 153.5
[M+Na-2H]- 249.11082 152.7
[M]+ 228.13560 151.2
[M]- 228.13670 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe