CID 146383

Crown lactone i

Structural Information

Molecular Formula
C20H32O12
SMILES
C1CC(=O)OCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOC1=O
InChI
InChI=1S/C20H32O12/c21-17-1-2-18(22)30-14-10-26-7-8-28-12-16-32-20(24)4-3-19(23)31-15-11-27-6-5-25-9-13-29-17/h1-16H2
InChIKey
PYRDTDDLJAEWCY-UHFFFAOYSA-N
Compound name
1,4,7,10,15,18,21,24-octaoxacyclooctacosane-11,14,25,28-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.18936 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19664 200.2
[M+Na]+ 487.17858 199.7
[M-H]- 463.18208 208.6
[M+NH4]+ 482.22318 193.1
[M+K]+ 503.15252 208.9
[M+H-H2O]+ 447.18662 200.7
[M+HCOO]- 509.18756 202.7
[M+CH3COO]- 523.20321 216.6
[M+Na-2H]- 485.16403 201.1
[M]+ 464.18881 193.8
[M]- 464.18991 193.8
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.