CID 131803068

Tg(12:0/10:0/13:0)

Structural Information

Molecular Formula
C38H72O6
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC
InChI
InChI=1S/C38H72O6/c1-4-7-10-13-16-18-20-23-25-28-31-37(40)43-34-35(44-38(41)32-29-26-21-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h35H,4-34H2,1-3H3/t35-/m0/s1
InChIKey
QVAUNHOMIZYHJU-DHUJRADRSA-N
Compound name
[(2S)-2-decanoyloxy-3-dodecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.5329 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.54018 264.7
[M+Na]+ 647.52212 270.5
[M-H]- 623.52562 253.2
[M+NH4]+ 642.56672 271.6
[M+K]+ 663.49606 272.8
[M+H-H2O]+ 607.53016 266.6
[M+HCOO]- 669.53110 265.9
[M+CH3COO]- 683.54675 270.0
[M+Na-2H]- 645.50757 248.9
[M]+ 624.53235 265.7
[M]- 624.53345 265.7
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.