CID 3015607

Einecs 250-887-5

Structural Information

Molecular Formula
C26H44O4
SMILES
CCCCCCCCCCCCC(C(=O)OCC)OC1=CC(=C(C=C1)O)C(C)(C)C
InChI
InChI=1S/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3
InChIKey
USQBFMHVASTQGU-UHFFFAOYSA-N
Compound name
ethyl 2-(3-tert-butyl-4-hydroxyphenoxy)tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

420.32397 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.33125 212.7
[M+Na]+ 443.31319 214.3
[M-H]- 419.31669 212.8
[M+NH4]+ 438.35779 222.7
[M+K]+ 459.28713 210.7
[M+H-H2O]+ 403.32123 204.9
[M+HCOO]- 465.32217 227.5
[M+CH3COO]- 479.33782 229.7
[M+Na-2H]- 441.29864 208.6
[M]+ 420.32342 220.9
[M]- 420.32452 220.9
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

patents stripe