CID 137323861

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

Structural Information

Molecular Formula
C25H50O4
SMILES
CCCCCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)22-29-23-25(28)21-26/h18-19,24-28H,2-17,20-23H2,1H3/b19-18-/t24-,25+/m1/s1
InChIKey
SAEGAFSWMNCOKB-LNEWTQJKSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxydocos-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

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 216.4
[M+Na]+ 437.36012 214.1
[M-H]- 413.36362 208.8
[M+NH4]+ 432.40472 212.0
[M+K]+ 453.33406 208.7
[M+H-H2O]+ 397.36816 208.6
[M+HCOO]- 459.36910 221.1
[M+CH3COO]- 473.38475 223.9
[M+Na-2H]- 435.34557 209.5
[M]+ 414.37035 222.8
[M]- 414.37145 222.8
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.