CID 4064324

4478-97-1

Structural Information

Molecular Formula
C26H54O6
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C26H54O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-28-19-21-30-23-25-32-26-24-31-22-20-29-18-16-27/h27H,2-26H2,1H3
InChIKey
CJZQCJWPIYNMQG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

687
Patents

462.39203 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39931 229.7
[M+Na]+ 485.38125 232.6
[M-H]- 461.38475 213.6
[M+NH4]+ 480.42585 227.1
[M+K]+ 501.35519 229.3
[M+H-H2O]+ 445.38929 213.9
[M+HCOO]- 507.39023 240.6
[M+CH3COO]- 521.40588 235.2
[M+Na-2H]- 483.36670 214.3
[M]+ 462.39148 229.9
[M]- 462.39258 229.9
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

No patent data available for this compound.