CID 447791

(1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate

Structural Information

Molecular Formula
C31H61O8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
UOOPRMYYAWVCCZ-GDLZYMKVSA-N
Compound name
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.4104 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.417676 247.7
[M+Na]+ 615.399618 249.5
[M-H]- 591.403124 238.9
[M+NH4]+ 610.444223 251.6
[M+K]+ 631.373558 249.2
[M+H-H2O]+ 575.407660 238.8
[M+HCOO]- 637.408601 251.3
[M+CH3COO]- 651.424251 256.8
[M+Na-2H]- 613.385066 229.3
[M]+ 592.40985142 245.8
[M]- 592.41094858 245.8
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.