CID 44150632

1,4-dioxacycloheptadecane-2,3-dione

Structural Information

Molecular Formula
C15H26O4
SMILES
C1CCCCCCOC(=O)C(=O)OCCCCCC1
InChI
InChI=1S/C15H26O4/c16-14-15(17)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-14/h1-13H2
InChIKey
SFDQLZJCABIQTG-UHFFFAOYSA-N
Compound name
1,4-dioxacycloheptadecane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.1831 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.190376 161.8
[M+Na]+ 293.172318 162.9
[M-H]- 269.175824 164.1
[M+NH4]+ 288.216923 171.6
[M+K]+ 309.146258 164.6
[M+H-H2O]+ 253.180360 159.2
[M+HCOO]- 315.181301 174.5
[M+CH3COO]- 329.196951 185.6
[M+Na-2H]- 291.157766 162.9
[M]+ 270.18255142 151.2
[M]- 270.18364858 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

No literature data available for this compound.

Patent stripe

patents stripe