CID 137323867

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

Structural Information

Molecular Formula
C23H48O4
SMILES
CCCCCCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C23H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)20-27-21-23(26)19-24/h22-26H,2-21H2,1H3/t22-,23+/m1/s1
InChIKey
FFCCOKZAHAOJBA-PKTZIBPZSA-N
Compound name
(2S)-3-[(2R)-2-hydroxyicosoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.35526 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.36254 209.2
[M+Na]+ 411.34448 207.3
[M-H]- 387.34798 201.9
[M+NH4]+ 406.38908 207.2
[M+K]+ 427.31842 203.0
[M+H-H2O]+ 371.35252 201.6
[M+HCOO]- 433.35346 216.5
[M+CH3COO]- 447.36911 219.5
[M+Na-2H]- 409.32993 203.2
[M]+ 388.35471 215.6
[M]- 388.35581 215.6
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.