CID 16206195

Diglyceryl monooleate

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
2
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 215.4
[M+Na]+ 453.31866 219.3
[M-H]- 429.32216 205.5
[M+NH4]+ 448.36326 213.7
[M+K]+ 469.29260 210.0
[M+H-H2O]+ 413.32670 208.0
[M+HCOO]- 475.32764 218.5
[M+CH3COO]- 489.34329 224.3
[M+Na-2H]- 451.30411 208.6
[M]+ 430.32889 212.9
[M]- 430.32999 212.9
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