CID 175157

7-methyl-1,4-dioxacycloheptadecane-5,17-dione

Structural Information

Molecular Formula
C16H28O4
SMILES
CC1CCCCCCCCCC(=O)OCCOC(=O)C1
InChI
InChI=1S/C16H28O4/c1-14-9-7-5-3-2-4-6-8-10-15(17)19-11-12-20-16(18)13-14/h14H,2-13H2,1H3
InChIKey
OQCIWLIZZWIBRK-UHFFFAOYSA-N
Compound name
7-methyl-1,4-dioxacycloheptadecane-5,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 164.8
[M+Na]+ 307.18798 173.3
[M+NH4]+ 302.23258 170.6
[M+K]+ 323.16192 168.4
[M-H]- 283.19148 169.8
[M+Na-2H]- 305.17343 167.7
[M]+ 284.19821 166.8
[M]- 284.19931 166.8
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