CID 131754151

Tg(15:0/15:0/o-18:0)

Structural Information

Molecular Formula
C51H100O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1
InChIKey
BQYMYZHSGTVESA-ANFMRNGASA-N
Compound name
[(2R)-3-octadecoxy-2-pentadecanoyloxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

792.7571 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.76438 309.5
[M+Na]+ 815.74632 308.4
[M+NH4]+ 810.79092 310.5
[M+K]+ 831.72026 311.2
[M-H]- 791.74982 289.5
[M+Na-2H]- 813.73177 303.4
[M]+ 792.75655 304.6
[M]- 792.75765 304.6
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.