CID 137323865

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

Structural Information

Molecular Formula
C21H44O4
SMILES
CCCCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C21H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)18-25-19-21(24)17-22/h20-24H,2-19H2,1H3/t20-,21+/m1/s1
InChIKey
WSTMDVJUMOTWRD-RTWAWAEBSA-N
Compound name
(2S)-3-[(2R)-2-hydroxyoctadecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.32397 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.33125 200.6
[M+Na]+ 383.31319 199.5
[M-H]- 359.31669 193.7
[M+NH4]+ 378.35779 211.1
[M+K]+ 399.28713 195.7
[M+H-H2O]+ 343.32123 193.3
[M+HCOO]- 405.32217 213.7
[M+CH3COO]- 419.33782 213.7
[M+Na-2H]- 381.29864 195.6
[M]+ 360.32342 206.2
[M]- 360.32452 206.2
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.