CID 131778541

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

Structural Information

Molecular Formula
C34H64O6
SMILES
CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC
InChI
InChI=1S/C34H64O6/c1-5-7-9-16-21-25-32(35)38-28-31(40-34(37)27-23-17-10-8-6-2)29-39-33(36)26-22-19-15-13-11-12-14-18-20-24-30(3)4/h30-31H,5-29H2,1-4H3/t31-/m0/s1
InChIKey
GGJIGUXHBYGCFP-HKBQPEDESA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

568.4703 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.47758 250.4
[M+Na]+ 591.45952 257.4
[M-H]- 567.46302 241.9
[M+NH4]+ 586.50412 259.0
[M+K]+ 607.43346 258.6
[M+H-H2O]+ 551.46756 253.3
[M+HCOO]- 613.46850 250.8
[M+CH3COO]- 627.48415 259.8
[M+Na-2H]- 589.44497 237.0
[M]+ 568.46975 251.6
[M]- 568.47085 251.6
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.