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]+ 387.34688 207.9
[M+Na]+ 409.32882 206.4
[M-H]- 385.33232 200.7
[M+NH4]+ 404.37342 204.8
[M+K]+ 425.30276 201.5
[M+H-H2O]+ 369.33686 200.4
[M+HCOO]- 431.33780 214.6
[M+CH3COO]- 445.35345 218.1
[M+Na-2H]- 407.31427 202.0
[M]+ 386.33905 213.5
[M]- 386.34015 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.