CID 11602624

110365-01-0

Structural Information

Molecular Formula
C16H24O8
SMILES
C1CCOC(=O)CCC(=O)OCCCCOC(=O)CCC(=O)OC1
InChI
InChI=1S/C16H24O8/c17-13-5-6-15(19)23-11-3-4-12-24-16(20)8-7-14(18)22-10-2-1-9-21-13/h1-12H2
InChIKey
FQFYNHBRDVTSLE-UHFFFAOYSA-N
Compound name
1,6,11,16-tetraoxacycloicosane-2,5,12,15-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.14713 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.154406 174.1
[M+Na]+ 367.136348 176.5
[M-H]- 343.139854 179.1
[M+NH4]+ 362.180953 177.9
[M+K]+ 383.110288 180.9
[M+H-H2O]+ 327.144390 172.4
[M+HCOO]- 389.145331 184.4
[M+CH3COO]- 403.160981 197.3
[M+Na-2H]- 365.121796 175.3
[M]+ 344.14658142 167.0
[M]- 344.14767858 167.0
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.