CID 137323853

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

Structural Information

Molecular Formula
C25H50O4
SMILES
CCCCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C25H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28-2)23-29-22-24(27)21-26/h18-19,24-27H,3-17,20-23H2,1-2H3/b19-18-/t24-,25+/m0/s1
InChIKey
GVUUADGJHCLWTN-KLBCUTSMSA-N
Compound name
(2S)-3-[(Z,2R)-2-methoxyhenicos-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.3709 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 216.6
[M+Na]+ 437.36012 214.7
[M-H]- 413.36362 210.4
[M+NH4]+ 432.40472 214.8
[M+K]+ 453.33406 210.2
[M+H-H2O]+ 397.36816 208.5
[M+HCOO]- 459.36910 223.3
[M+CH3COO]- 473.38475 226.3
[M+Na-2H]- 435.34557 210.1
[M]+ 414.37035 224.9
[M]- 414.37145 224.9
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.