CID 53439791

3,6,9,12-tetraoxatriacont-21-en-1-ol

Structural Information

Molecular Formula
C26H52O5
SMILES
CCCCCCCCC=CCCCCCCCCOCCOCCOCCOCCO
InChI
InChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h9-10,27H,2-8,11-26H2,1H3
InChIKey
ZNVICELHBCNKIF-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

207
Patents

444.38147 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.38875 220.2
[M+Na]+ 467.37069 228.8
[M-H]- 443.37419 208.8
[M+NH4]+ 462.41529 221.8
[M+K]+ 483.34463 214.3
[M+H-H2O]+ 427.37873 211.3
[M+HCOO]- 489.37967 236.5
[M+CH3COO]- 503.39532 232.1
[M+Na-2H]- 465.35614 216.6
[M]+ 444.38092 224.8
[M]- 444.38202 224.8
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

patents stripe