CID 123921

3055-98-9

Structural Information

Molecular Formula
C28H58O9
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChIKey
YYELLDKEOUKVIQ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

88
References

6819
Patents

538.4081 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.41538 245.7
[M+Na]+ 561.39732 246.6
[M-H]- 537.40082 230.8
[M+NH4]+ 556.44192 245.3
[M+K]+ 577.37126 243.9
[M+H-H2O]+ 521.40536 245.4
[M+HCOO]- 583.40630 255.9
[M+CH3COO]- 597.42195 246.1
[M+Na-2H]- 559.38277 228.1
[M]+ 538.40755 246.0
[M]- 538.40865 246.0
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