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]+ 357.29994 197.8
[M+Na]+ 379.28188 198.0
[M-H]- 355.28538 192.5
[M+NH4]+ 374.32648 209.2
[M+K]+ 395.25582 193.9
[M+H-H2O]+ 339.28992 190.6
[M+HCOO]- 401.29086 213.0
[M+CH3COO]- 415.30651 213.3
[M+Na-2H]- 377.26733 193.5
[M]+ 356.29211 203.9
[M]- 356.29321 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.