CID 73416317

Dg(8:0/10:0/0:0)

Structural Information

Molecular Formula
C21H40O5
SMILES
CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChI
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3/t19-/m0/s1
InChIKey
YOYOQXRPUDEPAK-IBGZPJMESA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] decanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

372.28757 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.29485 200.6
[M+Na]+ 395.27679 200.9
[M-H]- 371.28029 196.8
[M+NH4]+ 390.32139 205.2
[M+K]+ 411.25073 198.7
[M+H-H2O]+ 355.28483 193.1
[M+HCOO]- 417.28577 210.5
[M+CH3COO]- 431.30142 218.5
[M+Na-2H]- 393.26224 195.6
[M]+ 372.28702 209.4
[M]- 372.28812 209.4
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

No patent data available for this compound.