CID 137323859

1-o-(2r-hydroxy-4z-eicosenyl)-sn-glycerol

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C23H46O4/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/h16-17,22-26H,2-15,18-21H2,1H3/b17-16-/t22-,23+/m1/s1
InChIKey
NUQJUWDJCZXOAZ-AZMAUJMCSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxyicos-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3396 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.346876 207.9
[M+Na]+ 409.328818 206.4
[M-H]- 385.332324 200.7
[M+NH4]+ 404.373423 204.8
[M+K]+ 425.302758 201.5
[M+H-H2O]+ 369.336860 200.4
[M+HCOO]- 431.337801 214.6
[M+CH3COO]- 445.353451 218.1
[M+Na-2H]- 407.314266 202.0
[M]+ 386.33905142 213.5
[M]- 386.34014858 213.5
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.