CID 98143

6600-31-3

Structural Information

Molecular Formula
C19H28O4
SMILES
C1CC(CC=C1)C2OCC3(CO2)COC(OC3)C4CCC=CC4
InChI
InChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-3,5,15-18H,4,6-14H2
InChIKey
WKTJXDHLMJKSGI-UHFFFAOYSA-N
Compound name
3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

22
Patents

320.19876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 178.4
[M+Na]+ 343.18798 178.3
[M-H]- 319.19148 189.5
[M+NH4]+ 338.23258 187.7
[M+K]+ 359.16192 180.4
[M+H-H2O]+ 303.19602 168.9
[M+HCOO]- 365.19696 186.2
[M+CH3COO]- 379.21261 186.3
[M+Na-2H]- 341.17343 181.5
[M]+ 320.19821 169.2
[M]- 320.19931 169.2
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

patents stripe