CID 44201365

Ns00071117

Structural Information

Molecular Formula
C21H40O4
SMILES
CCCCCCCC/C=C/CCCCCCCCOC(=O)[C@@H](CO)O
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m1/s1
InChIKey
JPJYKWFFJCWMPK-SQUSKLHYSA-N
Compound name
[(E)-octadec-9-enyl] (2R)-2,3-dihydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.29266 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.299936 197.8
[M+Na]+ 379.281878 198.0
[M-H]- 355.285384 192.5
[M+NH4]+ 374.326483 209.2
[M+K]+ 395.255818 193.9
[M+H-H2O]+ 339.289920 190.6
[M+HCOO]- 401.290861 213.0
[M+CH3COO]- 415.306511 213.3
[M+Na-2H]- 377.267326 193.5
[M]+ 356.29211142 203.9
[M]- 356.29320858 203.9
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.