CID 12868350

78837-87-3

Structural Information

Molecular Formula
C20H32O8
SMILES
C1CCC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCOC(=O)C1
InChI
InChI=1S/C20H32O8/c21-17-9-1-2-10-18(22)26-14-7-8-16-28-20(24)12-4-3-11-19(23)27-15-6-5-13-25-17/h1-16H2
InChIKey
CICCYHMSMANUGA-UHFFFAOYSA-N
Compound name
1,6,13,18-tetraoxacyclotetracosane-7,12,19,24-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.20972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21700 189.3
[M+Na]+ 423.19894 189.1
[M-H]- 399.20244 194.5
[M+NH4]+ 418.24354 190.3
[M+K]+ 439.17288 193.2
[M+H-H2O]+ 383.20698 187.6
[M+HCOO]- 445.20792 196.5
[M+CH3COO]- 459.22357 205.5
[M+Na-2H]- 421.18439 187.9
[M]+ 400.20917 178.8
[M]- 400.21027 178.8
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

No patent data available for this compound.