CID 94013

1,6-dioxacyclohexadecane-7,16-dione

Structural Information

Molecular Formula
C14H24O4
SMILES
C1CCCCC(=O)OCCCCOC(=O)CCC1
InChI
InChI=1S/C14H24O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-12H2
InChIKey
AMCTYGGTIWUNMF-UHFFFAOYSA-N
Compound name
1,6-dioxacyclohexadecane-7,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

701
Patents

256.16745 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 157.3
[M+Na]+ 279.15667 165.9
[M+NH4]+ 274.20127 163.2
[M+K]+ 295.13061 161.0
[M-H]- 255.16017 162.0
[M+Na-2H]- 277.14212 160.6
[M]+ 256.16690 159.2
[M]- 256.16800 159.2
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