CID 174268

82199-17-5

Structural Information

Molecular Formula
C22H36O3
SMILES
CCCCC1=CC(=C(C(=C1)CCCC)OCCOC(=O)C)CCCC
InChI
InChI=1S/C22H36O3/c1-5-8-11-19-16-20(12-9-6-2)22(21(17-19)13-10-7-3)25-15-14-24-18(4)23/h16-17H,5-15H2,1-4H3
InChIKey
OCEHJBRSGHHEJL-UHFFFAOYSA-N
Compound name
2-(2,4,6-tributylphenoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.26645 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.27373 190.8
[M+Na]+ 371.25567 195.4
[M-H]- 347.25917 193.1
[M+NH4]+ 366.30027 204.7
[M+K]+ 387.22961 191.9
[M+H-H2O]+ 331.26371 183.0
[M+HCOO]- 393.26465 210.8
[M+CH3COO]- 407.28030 219.1
[M+Na-2H]- 369.24112 188.7
[M]+ 348.26590 199.6
[M]- 348.26700 199.6
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.