CID 53480977

Mg(18:1(11z)/0:0/0:0)

Structural Information

Molecular Formula
C21H40O4
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m0/s1
InChIKey
KJHYUSLWTPMFTN-AQWUKCDYSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

57
Patents

356.29266 Da
Monoisotopic Mass

6.5
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

literature stripe

Patent stripe

patents stripe