CID 481674

2-(4-hydroxyphenyl)ethyl icosanoate

Structural Information

Molecular Formula
C28H48O3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(30)31-25-24-26-20-22-27(29)23-21-26/h20-23,29H,2-19,24-25H2,1H3
InChIKey
DOLXPTLYXTUEKU-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.36035 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.36763 219.0
[M+Na]+ 455.34957 218.6
[M-H]- 431.35307 217.8
[M+NH4]+ 450.39417 228.0
[M+K]+ 471.32351 212.6
[M+H-H2O]+ 415.35761 209.6
[M+HCOO]- 477.35855 235.4
[M+CH3COO]- 491.37420 231.7
[M+Na-2H]- 453.33502 214.5
[M]+ 432.35980 227.1
[M]- 432.36090 227.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.