CID 110654

2-(2-hydroxyethoxy)ethyl (12r)-12-hydroxyoctadec-9-enoate

Structural Information

Molecular Formula
C22H42O5
SMILES
CCCCCC[C@H](CC=CCCCCCCCC(=O)OCCOCCO)O
InChI
InChI=1S/C22H42O5/c1-2-3-4-11-14-21(24)15-12-9-7-5-6-8-10-13-16-22(25)27-20-19-26-18-17-23/h9,12,21,23-24H,2-8,10-11,13-20H2,1H3/t21-/m1/s1
InChIKey
QUYITUXSUUKIRL-OAQYLSRUSA-N
Compound name
2-(2-hydroxyethoxy)ethyl (12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

455
Patents

386.30322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.31050 202.3
[M+Na]+ 409.29244 206.5
[M+NH4]+ 404.33704 209.7
[M+K]+ 425.26638 208.7
[M-H]- 385.29594 197.5
[M+Na-2H]- 407.27789 198.8
[M]+ 386.30267 200.8
[M]- 386.30377 200.8
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