CID 137323857

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

Structural Information

Molecular Formula
C21H42O4
SMILES
CCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)18-25-19-21(24)17-22/h14-15,20-24H,2-13,16-19H2,1H3/b15-14-/t20-,21+/m1/s1
InChIKey
FFBYHBIYPKYEGR-JIAZRSBUSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxyoctadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.30832 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.315596 199.3
[M+Na]+ 381.297538 198.6
[M-H]- 357.301044 192.5
[M+NH4]+ 376.342143 209.9
[M+K]+ 397.271478 194.2
[M+H-H2O]+ 341.305580 192.2
[M+HCOO]- 403.306521 212.7
[M+CH3COO]- 417.322171 212.2
[M+Na-2H]- 379.282986 194.4
[M]+ 358.30777142 204.1
[M]- 358.30886858 204.1
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.