CID 159866

N-octylpentaoxyethylene

Structural Information

Molecular Formula
C18H38O6
SMILES
CCCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
InChIKey
MJELOWOAIAAUJT-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

955
Patents

350.26685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27413 189.0
[M+Na]+ 373.25607 190.3
[M-H]- 349.25957 185.3
[M+NH4]+ 368.30067 201.3
[M+K]+ 389.23001 189.1
[M+H-H2O]+ 333.26411 181.1
[M+HCOO]- 395.26505 208.6
[M+CH3COO]- 409.28070 212.1
[M+Na-2H]- 371.24152 189.5
[M]+ 350.26630 201.6
[M]- 350.26740 201.6
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