CID 102241546

Dg(10:0/16:0/0:0)

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC
InChI
InChI=1S/C29H56O5/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-10-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m0/s1
InChIKey
AIUQYOVIFVJROH-MHZLTWQESA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.42006 232.1
[M+Na]+ 507.40200 237.8
[M-H]- 483.40550 220.5
[M+NH4]+ 502.44660 234.2
[M+K]+ 523.37594 236.5
[M+H-H2O]+ 467.41004 233.0
[M+HCOO]- 529.41098 236.6
[M+CH3COO]- 543.42663 241.5
[M+Na-2H]- 505.38745 218.7
[M]+ 484.41223 232.0
[M]- 484.41333 232.0
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.