CID 137323844

1-o-(2r-methoxy-4z-octadecenyl)-sn-glycerol

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C22H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25-2)20-26-19-21(24)18-23/h15-16,21-24H,3-14,17-20H2,1-2H3/b16-15-/t21-,22+/m0/s1
InChIKey
HAEKESXEMFDAFY-UBUYBAOQSA-N
Compound name
(2S)-3-[(Z,2R)-2-methoxyoctadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.32397 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 203.6
[M+Na]+ 395.31319 203.0
[M-H]- 371.31669 198.0
[M+NH4]+ 390.35779 203.8
[M+K]+ 411.28713 199.2
[M+H-H2O]+ 355.32123 196.1
[M+HCOO]- 417.32217 218.2
[M+CH3COO]- 431.33782 217.6
[M+Na-2H]- 393.29864 198.7
[M]+ 372.32342 210.8
[M]- 372.32452 210.8
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.