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

729
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

literature stripe

Patent stripe

patents stripe