CID 53439821

3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-ol

Structural Information

Molecular Formula
C26H54O13
SMILES
CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C26H54O13/c1-2-28-5-6-30-9-10-32-13-14-34-17-18-36-21-22-38-25-26-39-24-23-37-20-19-35-16-15-33-12-11-31-8-7-29-4-3-27/h27H,2-26H2,1H3
InChIKey
HMLWUTSMMJVOLX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.35645 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.36373 253.2
[M+Na]+ 597.34567 252.2
[M-H]- 573.34917 241.6
[M+NH4]+ 592.39027 255.7
[M+K]+ 613.31961 248.3
[M+H-H2O]+ 557.35371 253.5
[M+HCOO]- 619.35465 263.8
[M+CH3COO]- 633.37030 247.7
[M+Na-2H]- 595.33112 234.5
[M]+ 574.35590 254.6
[M]- 574.35700 254.6
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.