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]+ 403.37818 213.5
[M+Na]+ 425.36012 211.2
[M-H]- 401.36362 206.0
[M+NH4]+ 420.40472 210.8
[M+K]+ 441.33406 206.7
[M+H-H2O]+ 385.36816 205.7
[M+HCOO]- 447.36910 219.7
[M+CH3COO]- 461.38475 222.4
[M+Na-2H]- 423.34557 207.0
[M]+ 402.37035 220.2
[M]- 402.37145 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.