CID 137323860

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

Structural Information

Molecular Formula
C24H48O4
SMILES
CCCCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)21-28-22-24(27)20-25/h17-18,23-27H,2-16,19-22H2,1H3/b18-17-/t23-,24+/m1/s1
InChIKey
REBNVOWOSSFZOZ-YAHHNTINSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxyhenicos-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.35526 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 212.2
[M+Na]+ 423.34448 210.2
[M-H]- 399.34798 204.8
[M+NH4]+ 418.38908 208.4
[M+K]+ 439.31842 205.1
[M+H-H2O]+ 383.35252 204.5
[M+HCOO]- 445.35346 217.9
[M+CH3COO]- 459.36911 221.0
[M+Na-2H]- 421.32993 205.8
[M]+ 400.35471 218.1
[M]- 400.35581 218.1
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.