CID 14455022

56451-84-4

Structural Information

Molecular Formula
C24H46O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21+,23+,24+/m0/s1
InChIKey
XELHBEBUAREFRB-XWVZOOPGSA-N
Compound name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23162
Patents

430.32944 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.336716 215.2
[M+Na]+ 453.318658 213.8
[M-H]- 429.322164 212.2
[M+NH4]+ 448.363263 223.2
[M+K]+ 469.292598 210.9
[M+H-H2O]+ 413.326700 207.8
[M+HCOO]- 475.327641 226.4
[M+CH3COO]- 489.343291 224.1
[M+Na-2H]- 451.304106 207.7
[M]+ 430.32889142 220.7
[M]- 430.32998858 220.7
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

patents stripe