CID 3038405

94386-50-2

Structural Information

Molecular Formula
C27H46O3
SMILES
CCCCCCCCCCCCC(C(=O)OCC)OC1=CC=C(C=C1)C(C)(C)CC
InChI
InChI=1S/C27H46O3/c1-6-9-10-11-12-13-14-15-16-17-18-25(26(28)29-8-3)30-24-21-19-23(20-22-24)27(4,5)7-2/h19-22,25H,6-18H2,1-5H3
InChIKey
QCORBLPIJKORCA-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.3447 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.35198 214.8
[M+Na]+ 441.33392 215.5
[M-H]- 417.33742 215.7
[M+NH4]+ 436.37852 225.2
[M+K]+ 457.30786 211.7
[M+H-H2O]+ 401.34196 206.3
[M+HCOO]- 463.34290 230.5
[M+CH3COO]- 477.35855 232.6
[M+Na-2H]- 439.31937 211.0
[M]+ 418.34415 223.4
[M]- 418.34525 223.4
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