CID 481683

2-(4-methoxyphenyl)ethyl nonadecanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.36035 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.36763 219.2
[M+Na]+ 455.34957 219.2
[M-H]- 431.35307 219.3
[M+NH4]+ 450.39417 228.9
[M+K]+ 471.32351 214.1
[M+H-H2O]+ 415.35761 209.5
[M+HCOO]- 477.35855 237.0
[M+CH3COO]- 491.37420 234.2
[M+Na-2H]- 453.33502 215.1
[M]+ 432.35980 229.2
[M]- 432.36090 229.2
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.