CID 41270

1,4-dioxacyclohexadecane-5,16-dione

Structural Information

Molecular Formula
C14H24O4
SMILES
C1CCCCCC(=O)OCCOC(=O)CCCC1
InChI
InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2
InChIKey
GJJSUPSPZIZYPM-UHFFFAOYSA-N
Compound name
1,4-dioxacyclohexadecane-5,16-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

2002
Patents

256.16745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 157.6
[M+Na]+ 279.15667 159.3
[M-H]- 255.16017 159.8
[M+NH4]+ 274.20127 168.1
[M+K]+ 295.13061 161.3
[M+H-H2O]+ 239.16471 155.0
[M+HCOO]- 301.16565 171.1
[M+CH3COO]- 315.18130 183.6
[M+Na-2H]- 277.14212 159.5
[M]+ 256.16690 147.9
[M]- 256.16800 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.