CID 16218600

Span 60

Structural Information

Molecular Formula
C24H46O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)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)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21+,23+,24+/m0/s1
InChIKey
HVUMOYIDDBPOLL-XWVZOOPGSA-N
Compound name
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

160
References

106414
Patents

430.32944 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.33672 215.2
[M+Na]+ 453.31866 213.8
[M-H]- 429.32216 212.2
[M+NH4]+ 448.36326 223.2
[M+K]+ 469.29260 210.9
[M+H-H2O]+ 413.32670 207.8
[M+HCOO]- 475.32764 226.4
[M+CH3COO]- 489.34329 224.1
[M+Na-2H]- 451.30411 207.7
[M]+ 430.32889 220.7
[M]- 430.32999 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