CID 44149627

3,3-dimethyl-1,5-dioxacyclopentadecane-6,15-dione

Structural Information

Molecular Formula
C15H26O4
SMILES
CC1(COC(=O)CCCCCCCCC(=O)OC1)C
InChI
InChI=1S/C15H26O4/c1-15(2)11-18-13(16)9-7-5-3-4-6-8-10-14(17)19-12-15/h3-12H2,1-2H3
InChIKey
WFHCYLFWGOWBSW-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,5-dioxacyclopentadecane-6,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.190376 161.9
[M+Na]+ 293.172318 165.5
[M-H]- 269.175824 164.6
[M+NH4]+ 288.216923 174.5
[M+K]+ 309.146258 167.4
[M+H-H2O]+ 253.180360 160.2
[M+HCOO]- 315.181301 175.6
[M+CH3COO]- 329.196951 188.2
[M+Na-2H]- 291.157766 164.1
[M]+ 270.18255142 154.6
[M]- 270.18364858 154.6
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