CID 131778134

Tg(8:0/12:0/19:0)

Structural Information

Molecular Formula
C42H80O6
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C42H80O6/c1-4-7-10-13-15-17-18-19-20-21-22-23-25-26-29-32-35-41(44)47-38-39(37-46-40(43)34-31-28-12-9-6-3)48-42(45)36-33-30-27-24-16-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m0/s1
InChIKey
MTDRVYIIVQDEEI-KDXMTYKHSA-N
Compound name
[(2S)-2-dodecanoyloxy-3-octanoyloxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

680.5955 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.60278 278.1
[M+Na]+ 703.58472 283.2
[M-H]- 679.58822 265.1
[M+NH4]+ 698.62932 285.0
[M+K]+ 719.55866 287.2
[M+H-H2O]+ 663.59276 279.6
[M+HCOO]- 725.59370 277.8
[M+CH3COO]- 739.60935 280.7
[M+Na-2H]- 701.57017 260.7
[M]+ 680.59495 279.2
[M]- 680.59605 279.2
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.