CID 137323852

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

Structural Information

Molecular Formula
C26H52O4
SMILES
CCCCCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C26H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29-2)24-30-23-25(28)22-27/h19-20,25-28H,3-18,21-24H2,1-2H3/b20-19-/t25-,26+/m0/s1
InChIKey
KDTIXNAEPNIZMH-JQDZGVMXSA-N
Compound name
(2S)-3-[(Z,2R)-2-methoxydocos-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.38657 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.39385 220.8
[M+Na]+ 451.37579 218.5
[M-H]- 427.37929 207.3
[M+NH4]+ 446.42039 218.4
[M+K]+ 467.34973 213.8
[M+H-H2O]+ 411.38383 212.6
[M+HCOO]- 473.38477 226.5
[M+CH3COO]- 487.40042 229.2
[M+Na-2H]- 449.36124 213.9
[M]+ 428.38602 220.1
[M]- 428.38712 220.1
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.