CID 56936434

Tg(39:1)

Structural Information

Molecular Formula
C42H78O6
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C42H78O6/c1-4-7-10-13-16-19-20-21-24-26-29-32-35-41(44)47-38-39(48-42(45)36-33-30-27-23-18-15-12-9-6-3)37-46-40(43)34-31-28-25-22-17-14-11-8-5-2/h16,19,39H,4-15,17-18,20-38H2,1-3H3/b19-16-/t39-/m1/s1
InChIKey
KPAWLMZHGVSXAL-IHOZPWCXSA-N
Compound name
[(2R)-2,3-di(dodecanoyloxy)propyl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.57983 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.58711 276.0
[M+Na]+ 701.56905 281.7
[M-H]- 677.57255 263.8
[M+NH4]+ 696.61365 283.2
[M+K]+ 717.54299 285.2
[M+H-H2O]+ 661.57709 277.5
[M+HCOO]- 723.57803 276.5
[M+CH3COO]- 737.59368 279.5
[M+Na-2H]- 699.55450 259.0
[M]+ 678.57928 276.8
[M]- 678.58038 276.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.