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]+ 357.29994 195.0
[M+Na]+ 379.28188 200.5
[M+NH4]+ 374.32648 204.5
[M+K]+ 395.25582 193.9
[M-H]- 355.28538 191.4
[M+Na-2H]- 377.26733 192.8
[M]+ 356.29211 194.2
[M]- 356.29321 194.2
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.