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]+ 373.331246 203.6
[M+Na]+ 395.313188 203.0
[M-H]- 371.316694 198.0
[M+NH4]+ 390.357793 203.8
[M+K]+ 411.287128 199.2
[M+H-H2O]+ 355.321230 196.1
[M+HCOO]- 417.322171 218.2
[M+CH3COO]- 431.337821 217.6
[M+Na-2H]- 393.298636 198.7
[M]+ 372.32342142 210.8
[M]- 372.32451858 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.