CID 93717

57565-08-9

Structural Information

Molecular Formula
C17H28O4
SMILES
C1CCC2(CC1)COC3(OC2)OCC4(CCCCC4)CO3
InChI
InChI=1S/C17H28O4/c1-3-7-15(8-4-1)11-18-17(19-12-15)20-13-16(14-21-17)9-5-2-6-10-16/h1-14H2
InChIKey
UELKTOZXAAYYTH-UHFFFAOYSA-N
Compound name
8,10,19,20-tetraoxatrispiro[5.2.2.512.29.26]henicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.19876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.206036 171.2
[M+Na]+ 319.187978 171.6
[M-H]- 295.191484 180.1
[M+NH4]+ 314.232583 185.9
[M+K]+ 335.161918 174.7
[M+H-H2O]+ 279.196020 162.0
[M+HCOO]- 341.196961 176.6
[M+CH3COO]- 355.212611 179.2
[M+Na-2H]- 317.173426 177.5
[M]+ 296.19821142 160.2
[M]- 296.19930858 160.2
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.