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]+ 361.331246 200.6
[M+Na]+ 383.313188 199.5
[M-H]- 359.316694 193.7
[M+NH4]+ 378.357793 211.1
[M+K]+ 399.287128 195.7
[M+H-H2O]+ 343.321230 193.3
[M+HCOO]- 405.322171 213.7
[M+CH3COO]- 419.337821 213.7
[M+Na-2H]- 381.298636 195.6
[M]+ 360.32342142 206.2
[M]- 360.32451858 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.