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 197.6
[M+Na]+ 379.28188 198.3
[M-H]- 355.28538 193.8
[M+NH4]+ 374.32648 209.8
[M+K]+ 395.25582 195.0
[M+H-H2O]+ 339.28992 190.2
[M+HCOO]- 401.29086 214.3
[M+CH3COO]- 415.30651 215.8
[M+Na-2H]- 377.26733 193.8
[M]+ 356.29211 205.6
[M]- 356.29321 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.