CID 16212480

Span 40

Structural Information

Molecular Formula
C22H42O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI
InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1
InChIKey
IYFATESGLOUGBX-YVNJGZBMSA-N
Compound name
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

65427
Patents

402.29813 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.30541 206.5
[M+Na]+ 425.28735 205.9
[M-H]- 401.29085 203.8
[M+NH4]+ 420.33195 215.7
[M+K]+ 441.26129 203.4
[M+H-H2O]+ 385.29539 199.4
[M+HCOO]- 447.29633 218.3
[M+CH3COO]- 461.31198 218.3
[M+Na-2H]- 423.27280 199.9
[M]+ 402.29758 211.2
[M]- 402.29868 211.2
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