CID 137323869

1-o-(2r-hydroxy-docosanyl)-sn-glycerol

Structural Information

Molecular Formula
C25H52O4
SMILES
CCCCCCCCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C25H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)22-29-23-25(28)21-26/h24-28H,2-23H2,1H3/t24-,25+/m1/s1
InChIKey
IMQBUQXWRWGLJE-RPBOFIJWSA-N
Compound name
(2S)-3-[(2R)-2-hydroxydocosoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.38657 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.39385 217.7
[M+Na]+ 439.37579 215.0
[M-H]- 415.37929 210.0
[M+NH4]+ 434.42039 214.4
[M+K]+ 455.34973 210.2
[M+H-H2O]+ 399.38383 209.7
[M+HCOO]- 461.38477 223.0
[M+CH3COO]- 475.40042 225.3
[M+Na-2H]- 437.36124 210.8
[M]+ 416.38602 224.8
[M]- 416.38712 224.8
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.