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
4
Annotation Hits

0
References

1431
Patents

430.32944 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.336716 215.4
[M+Na]+ 453.318658 219.3
[M-H]- 429.322164 205.5
[M+NH4]+ 448.363263 213.7
[M+K]+ 469.292598 210.0
[M+H-H2O]+ 413.326700 208.0
[M+HCOO]- 475.327641 218.5
[M+CH3COO]- 489.343291 224.3
[M+Na-2H]- 451.304106 208.6
[M]+ 430.32889142 212.9
[M]- 430.32998858 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