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

2256
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

literature stripe

Patent stripe

patents stripe