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]+ 359.31560 199.3
[M+Na]+ 381.29754 198.6
[M-H]- 357.30104 192.5
[M+NH4]+ 376.34214 209.9
[M+K]+ 397.27148 194.2
[M+H-H2O]+ 341.30558 192.2
[M+HCOO]- 403.30652 212.7
[M+CH3COO]- 417.32217 212.2
[M+Na-2H]- 379.28299 194.4
[M]+ 358.30777 204.1
[M]- 358.30887 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.