CID 216427

Ugkiynoagxclfg-uhfffaoysa-n

Structural Information

Molecular Formula
C26H44O3
SMILES
CCCCCCCCCCCCC(C(=O)OCC)OC1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C26H44O3/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(27)28-7-2)29-23-20-18-22(19-21-23)26(3,4)5/h18-21,24H,6-17H2,1-5H3
InChIKey
UGKIYNOAGXCLFG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-tert-butylphenoxy)tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.32904 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.336316 210.5
[M+Na]+ 427.318258 211.7
[M-H]- 403.321764 211.6
[M+NH4]+ 422.362863 221.6
[M+K]+ 443.292198 208.2
[M+H-H2O]+ 387.326300 202.2
[M+HCOO]- 449.327241 226.6
[M+CH3COO]- 463.342891 229.0
[M+Na-2H]- 425.303706 207.3
[M]+ 404.32849142 218.7
[M]- 404.32958858 218.7
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.