CID 131778029

Tg(8:0/8:0/15:0)

Structural Information

Molecular Formula
C34H64O6
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C34H64O6/c1-4-7-10-13-14-15-16-17-18-19-22-24-27-33(36)39-30-31(40-34(37)28-25-21-12-9-6-3)29-38-32(35)26-23-20-11-8-5-2/h31H,4-30H2,1-3H3/t31-/m0/s1
InChIKey
AGCZOOJNZRMTED-HKBQPEDESA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

568.4703 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.47758 250.9
[M+Na]+ 591.45952 257.4
[M-H]- 567.46302 240.9
[M+NH4]+ 586.50412 257.9
[M+K]+ 607.43346 258.0
[M+H-H2O]+ 551.46756 253.3
[M+HCOO]- 613.46850 253.7
[M+CH3COO]- 627.48415 259.1
[M+Na-2H]- 589.44497 236.8
[M]+ 568.46975 252.0
[M]- 568.47085 252.0
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.