CID 12398655

3,6,9,12,15,18-hexaoxahexacosan-1-ol

Structural Information

Molecular Formula
C20H42O7
SMILES
CCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3
InChIKey
VVSOZSGWKFPDFX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

394.29306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.300336 199.2
[M+Na]+ 417.282278 199.5
[M-H]- 393.285784 195.1
[M+NH4]+ 412.326883 208.3
[M+K]+ 433.256218 198.5
[M+H-H2O]+ 377.290320 190.8
[M+HCOO]- 439.291261 223.3
[M+CH3COO]- 453.306911 219.8
[M+Na-2H]- 415.267726 199.0
[M]+ 394.29251142 214.1
[M]- 394.29360858 214.1
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