CID 131802205

Dg(a-13:0/a-13:0/0:0)

Structural Information

Molecular Formula
C29H56O5
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)CC
InChI
InChI=1S/C29H56O5/c1-5-25(3)19-15-11-7-9-13-17-21-28(31)33-24-27(23-30)34-29(32)22-18-14-10-8-12-16-20-26(4)6-2/h25-27,30H,5-24H2,1-4H3/t25?,26?,27-/m0/s1
InChIKey
PKATYMHXZKEPIH-RCSZBHJWSA-N
Compound name
[(2S)-3-hydroxy-2-(10-methyldodecanoyloxy)propyl] 10-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.42006 236.7
[M+Na]+ 507.40200 237.6
[M+NH4]+ 502.44660 239.3
[M+K]+ 523.37594 236.2
[M-H]- 483.40550 226.6
[M+Na-2H]- 505.38745 238.3
[M]+ 484.41223 234.0
[M]- 484.41333 234.0
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.