CID 12581605

1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone

Structural Information

Molecular Formula
C24H40O8
SMILES
C1CCCCC(=O)OCCOC(=O)CCCCCCCCC(=O)OCCOC(=O)CCC1
InChI
InChI=1S/C24H40O8/c25-21-13-9-5-1-2-6-10-14-22(26)30-19-20-32-24(28)16-12-8-4-3-7-11-15-23(27)31-18-17-29-21/h1-20H2
InChIKey
AMGBSKXAVWNRGS-UHFFFAOYSA-N
Compound name
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2723 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.279576 203.1
[M+Na]+ 479.261518 200.4
[M-H]- 455.265024 208.3
[M+NH4]+ 474.306123 201.2
[M+K]+ 495.235458 204.2
[M+H-H2O]+ 439.269560 201.4
[M+HCOO]- 501.270501 207.2
[M+CH3COO]- 515.286151 213.7
[M+Na-2H]- 477.246966 199.1
[M]+ 456.27175142 189.2
[M]- 456.27284858 189.2
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

No patent data available for this compound.