CID 131754347

Tg(15:0/16:1(9z)/o-18:0)

Structural Information

Molecular Formula
C52H100O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C52H100O5/c1-4-7-10-13-16-19-22-25-26-27-29-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-30-24-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h20,23,50H,4-19,21-22,24-49H2,1-3H3/b23-20-/t50-/m1/s1
InChIKey
UGTZDQIHZVCKDI-DKKVYINCSA-N
Compound name
[(2R)-1-octadecoxy-3-pentadecanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

804.7571 Da
Monoisotopic Mass

21.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.76438 310.7
[M+Na]+ 827.74632 310.0
[M+NH4]+ 822.79092 311.6
[M+K]+ 843.72026 312.9
[M-H]- 803.74982 291.2
[M+Na-2H]- 825.73177 304.7
[M]+ 804.75655 306.1
[M]- 804.75765 306.1
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.