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 171.2
[M+Na]+ 319.18798 171.6
[M-H]- 295.19148 180.1
[M+NH4]+ 314.23258 185.9
[M+K]+ 335.16192 174.7
[M+H-H2O]+ 279.19602 162.0
[M+HCOO]- 341.19696 176.6
[M+CH3COO]- 355.21261 179.2
[M+Na-2H]- 317.17343 177.5
[M]+ 296.19821 160.2
[M]- 296.19931 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.