CID 86141788

Beheneth-3

Structural Information

Molecular Formula
C28H58O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C28H58O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25-27-32-28-26-31-24-22-29/h29H,2-28H2,1H3
InChIKey
YRZKBYUVHVPTOG-UHFFFAOYSA-N
Compound name
2-[2-(2-docosoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

458.4335 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.44078 227.9
[M+Na]+ 481.42272 235.9
[M-H]- 457.42622 214.2
[M+NH4]+ 476.46732 228.2
[M+K]+ 497.39666 220.5
[M+H-H2O]+ 441.43076 218.7
[M+HCOO]- 503.43170 242.4
[M+CH3COO]- 517.44735 237.4
[M+Na-2H]- 479.40817 223.1
[M]+ 458.43295 232.5
[M]- 458.43405 232.5
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