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]+ 389.362536 209.2
[M+Na]+ 411.344478 207.3
[M-H]- 387.347984 201.9
[M+NH4]+ 406.389083 207.2
[M+K]+ 427.318418 203.0
[M+H-H2O]+ 371.352520 201.6
[M+HCOO]- 433.353461 216.5
[M+CH3COO]- 447.369111 219.5
[M+Na-2H]- 409.329926 203.2
[M]+ 388.35471142 215.6
[M]- 388.35580858 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.