CID 137323868

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

Structural Information

Molecular Formula
C24H50O4
SMILES
CCCCCCCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C24H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)21-28-22-24(27)20-25/h23-27H,2-22H2,1H3/t23-,24+/m1/s1
InChIKey
ZWVPLFSZZOQEOY-RPWUZVMVSA-N
Compound name
(2S)-3-[(2R)-2-hydroxyhenicosoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.3709 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.378176 213.5
[M+Na]+ 425.360118 211.2
[M-H]- 401.363624 206.0
[M+NH4]+ 420.404723 210.8
[M+K]+ 441.334058 206.7
[M+H-H2O]+ 385.368160 205.7
[M+HCOO]- 447.369101 219.7
[M+CH3COO]- 461.384751 222.4
[M+Na-2H]- 423.345566 207.0
[M]+ 402.37035142 220.2
[M]- 402.37144858 220.2
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.