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 237.1
[M+Na]+ 529.37109 240.9
[M-H]- 505.37459 224.7
[M+NH4]+ 524.41569 240.3
[M+K]+ 545.34503 237.9
[M+H-H2O]+ 489.37913 238.7
[M+HCOO]- 551.38007 248.0
[M+CH3COO]- 565.39572 243.4
[M+Na-2H]- 527.35654 222.3
[M]+ 506.38132 238.6
[M]- 506.38242 238.6
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.