CID 6446385

D 442

Structural Information

Molecular Formula
C28H44O4
SMILES
CCCCCCCCCCCCCC(=O)OC(/C=C/C1=CC2=C(C=C1)OCO2)C(C)(C)C
InChI
InChI=1S/C28H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-27(29)32-26(28(2,3)4)20-18-23-17-19-24-25(21-23)31-22-30-24/h17-21,26H,5-16,22H2,1-4H3/b20-18+
InChIKey
IYIYCFOSQIPRIQ-CZIZESTLSA-N
Compound name
[(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.32397 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.33125 217.1
[M+Na]+ 467.31319 224.4
[M+NH4]+ 462.35779 221.5
[M+K]+ 483.28713 219.5
[M-H]- 443.31669 218.9
[M+Na-2H]- 465.29864 215.7
[M]+ 444.32342 218.5
[M]- 444.32452 218.5
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.