CID 14199472

Beheneth-2

Structural Information

Molecular Formula
C26H54O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCOCCOCCO
InChI
InChI=1S/C26H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-25-26-29-24-22-27/h27H,2-26H2,1H3
InChIKey
HSTIFWMWLCYDFT-UHFFFAOYSA-N
Compound name
2-(2-docosoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

185
Patents

414.4073 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.41458 217.2
[M+Na]+ 437.39652 215.5
[M-H]- 413.40002 212.1
[M+NH4]+ 432.44112 218.2
[M+K]+ 453.37046 210.6
[M+H-H2O]+ 397.40456 208.6
[M+HCOO]- 459.40550 233.7
[M+CH3COO]- 473.42115 229.9
[M+Na-2H]- 435.38197 213.3
[M]+ 414.40675 228.5
[M]- 414.40785 228.5
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