CID 131754919

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

Structural Information

Molecular Formula
C51H100O5
SMILES
CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-54-49(47-55-50(52)44-41-38-35-32-29-23-20-17-14-11-8-5-2)48-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3/h49H,4-48H2,1-3H3
InChIKey
HRTAOZVKLLODHN-UHFFFAOYSA-N
Compound name
(2-octadecoxy-3-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 307.1
[M+Na]+ 815.74632 310.1
[M-H]- 791.74982 287.7
[M+NH4]+ 810.79092 311.1
[M+K]+ 831.72026 317.7
[M+H-H2O]+ 775.75436 306.8
[M+HCOO]- 837.75530 304.9
[M+CH3COO]- 851.77095 303.2
[M+Na-2H]- 813.73177 285.3
[M]+ 792.75655 308.1
[M]- 792.75765 308.1
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.