CID 76459

Dodecylheptaglycol

Structural Information

Molecular Formula
C26H54O8
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
InChIKey
DWHIUNMOTRUVPG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1279
References

13749
Patents

494.38187 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.38915 235.3
[M+Na]+ 517.37109 237.1
[M-H]- 493.37459 220.5
[M+NH4]+ 512.41569 234.2
[M+K]+ 533.34503 233.6
[M+H-H2O]+ 477.37913 235.1
[M+HCOO]- 539.38007 246.3
[M+CH3COO]- 553.39572 238.8
[M+Na-2H]- 515.35654 219.0
[M]+ 494.38132 235.5
[M]- 494.38242 235.5
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