CID 15607544

3,6,9,12,15,18,21,24,27,30-decaoxatetratetracontan-1-ol

Structural Information

Molecular Formula
C34H70O11
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C34H70O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-36-17-19-38-21-23-40-25-27-42-29-31-44-33-34-45-32-30-43-28-26-41-24-22-39-20-18-37-16-14-35/h35H,2-34H2,1H3
InChIKey
FJGDXIUISWQNSF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

654.4918 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.49908 274.1
[M+Na]+ 677.48102 272.8
[M-H]- 653.48452 258.1
[M+NH4]+ 672.52562 275.0
[M+K]+ 693.45496 272.4
[M+H-H2O]+ 637.48906 273.3
[M+HCOO]- 699.49000 281.7
[M+CH3COO]- 713.50565 265.7
[M+Na-2H]- 675.46647 252.9
[M]+ 654.49125 274.9
[M]- 654.49235 274.9
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.