CID 3293438

17454-49-8

Structural Information

Molecular Formula
C18H34O5
SMILES
CC(C)(C)C1CCC2C(C1)OCCOCCOCCOCCO2
InChI
InChI=1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3
InChIKey
KEDVODGFVKTPLB-UHFFFAOYSA-N
Compound name
17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

330.24063 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.24791 176.8
[M+Na]+ 353.22985 184.8
[M+NH4]+ 348.27445 182.4
[M+K]+ 369.20379 181.7
[M-H]- 329.23335 185.0
[M+Na-2H]- 351.21530 176.8
[M]+ 330.24008 179.9
[M]- 330.24118 179.9
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

patents stripe