CID 16206195

3-(2,3-dihydroxypropoxy)-2-hydroxypropyl oleate

Structural Information

Molecular Formula
C24H46O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3/b10-9-
InChIKey
BKZCZANSHGDPSH-KTKRTIGZSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1743
Patents

430.32944 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.33672 218.9
[M+Na]+ 453.31866 220.3
[M+NH4]+ 448.36326 219.1
[M+K]+ 469.29260 217.9
[M-H]- 429.32216 209.1
[M+Na-2H]- 451.30411 207.9
[M]+ 430.32889 215.9
[M]- 430.32999 215.9
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