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
7
Annotation Hits

30
References

58528
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.