CID 105847

67873-94-3

Structural Information

Molecular Formula
C27H54O8
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)C
InChI
InChI=1S/C27H54O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-29-15-16-30-17-18-31-19-20-32-21-22-33-23-24-34-25-26-35-27(2)28/h3-26H2,1-2H3
InChIKey
BJXZRWVXQIJGMF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.38187 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.38915 240.7
[M+Na]+ 529.37109 240.2
[M+NH4]+ 524.41569 242.4
[M+K]+ 545.34503 239.7
[M-H]- 505.37459 226.7
[M+Na-2H]- 527.35654 241.0
[M]+ 506.38132 237.0
[M]- 506.38242 237.0
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.