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]+ 297.20604 176.1
[M+Na]+ 319.18798 185.5
[M+NH4]+ 314.23258 189.2
[M+K]+ 335.16192 174.3
[M-H]- 295.19148 186.5
[M+Na-2H]- 317.17343 182.3
[M]+ 296.19821 180.9
[M]- 296.19931 180.9
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.