CID 131802740

Dg(i-21:0/a-17:0/0:0)

Structural Information

Molecular Formula
C41H80O5
SMILES
CCC(C)CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C41H80O5/c1-5-38(4)32-28-24-20-16-13-14-18-22-26-30-34-41(44)46-39(35-42)36-45-40(43)33-29-25-21-17-12-10-8-6-7-9-11-15-19-23-27-31-37(2)3/h37-39,42H,5-36H2,1-4H3/t38?,39-/m0/s1
InChIKey
LCIUJZZYEZEHBN-RVFUZGKFSA-N
Compound name
[(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

652.6006 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.60788 277.5
[M+Na]+ 675.58982 277.3
[M+NH4]+ 670.63442 279.7
[M+K]+ 691.56376 278.1
[M-H]- 651.59332 263.4
[M+Na-2H]- 673.57527 275.1
[M]+ 652.60005 273.9
[M]- 652.60115 273.9
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.