CID 131778857

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

Structural Information

Molecular Formula
C31H58O6
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C31H58O6/c1-4-7-10-13-14-15-16-19-21-24-30(33)36-27-28(37-31(34)25-22-18-12-9-6-3)26-35-29(32)23-20-17-11-8-5-2/h28H,4-27H2,1-3H3/t28-/m0/s1
InChIKey
DSRUPIUWBWOXGJ-NDEPHWFRSA-N
Compound name
[(2S)-2,3-di(octanoyloxy)propyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

526.42334 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.43062 240.3
[M+Na]+ 549.41256 247.3
[M-H]- 525.41606 231.5
[M+NH4]+ 544.45716 247.4
[M+K]+ 565.38650 246.8
[M+H-H2O]+ 509.42060 243.1
[M+HCOO]- 571.42154 244.3
[M+CH3COO]- 585.43719 250.7
[M+Na-2H]- 547.39801 227.6
[M]+ 526.42279 241.5
[M]- 526.42389 241.5
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.