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 166.2
[M+Na]+ 307.18798 167.8
[M-H]- 283.19148 168.7
[M+NH4]+ 302.23258 175.8
[M+K]+ 323.16192 169.3
[M+H-H2O]+ 267.19602 163.7
[M+HCOO]- 329.19696 178.6
[M+CH3COO]- 343.21261 189.7
[M+Na-2H]- 305.17343 166.2
[M]+ 284.19821 156.4
[M]- 284.19931 156.4
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