CID 131799378

Dg(i-14:0/0:0/12:0)

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)O
InChI
InChI=1S/C29H56O5/c1-4-5-6-7-8-9-13-16-19-22-28(31)33-24-27(30)25-34-29(32)23-20-17-14-11-10-12-15-18-21-26(2)3/h26-27,30H,4-25H2,1-3H3/t27-/m0/s1
InChIKey
OWZJDFFYHJSDBG-MHZLTWQESA-N
Compound name
[(2S)-3-dodecanoyloxy-2-hydroxypropyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.42006 236.2
[M+Na]+ 507.40200 237.2
[M+NH4]+ 502.44660 238.0
[M+K]+ 523.37594 235.7
[M-H]- 483.40550 224.9
[M+Na-2H]- 505.38745 237.5
[M]+ 484.41223 233.2
[M]- 484.41333 233.2
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.