CID 131802711

Dg(a-21:0/13:0/0:0)

Structural Information

Molecular Formula
C37H72O5
SMILES
CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C37H72O5/c1-4-6-7-8-9-10-18-22-25-28-31-37(40)42-35(32-38)33-41-36(39)30-27-24-21-19-16-14-12-11-13-15-17-20-23-26-29-34(3)5-2/h34-35,38H,4-33H2,1-3H3/t34?,35-/m0/s1
InChIKey
DKEXFKXCLWDUGY-HTIIIDOHSA-N
Compound name
[(2S)-3-hydroxy-2-tridecanoyloxypropyl] 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

596.53796 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.54524 263.5
[M+Na]+ 619.52718 263.8
[M+NH4]+ 614.57178 265.1
[M+K]+ 635.50112 263.8
[M-H]- 595.53068 249.6
[M+Na-2H]- 617.51263 262.1
[M]+ 596.53741 259.9
[M]- 596.53851 259.9
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

No patent data available for this compound.