CID 101942511

3-(2-heptenyloxy)-2-hydroxypropyl undecanoate

Structural Information

Molecular Formula
C21H40O4
SMILES
CCCCCCCCCCC(=O)OCC(COC/C=C/CCCC)O
InChI
InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-16-21(23)25-19-20(22)18-24-17-15-13-8-6-4-2/h13,15,20,22H,3-12,14,16-19H2,1-2H3/b15-13+
InChIKey
AQZFORIMCWMRNP-FYWRMAATSA-N
Compound name
[3-[(E)-hept-2-enoxy]-2-hydroxypropyl] undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.29266 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.299936 197.6
[M+Na]+ 379.281878 198.3
[M-H]- 355.285384 193.8
[M+NH4]+ 374.326483 209.8
[M+K]+ 395.255818 195.0
[M+H-H2O]+ 339.289920 190.2
[M+HCOO]- 401.290861 214.3
[M+CH3COO]- 415.306511 215.8
[M+Na-2H]- 377.267326 193.8
[M]+ 356.29211142 205.6
[M]- 356.29320858 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.