CID 131822475

Dtxsid501344098

Structural Information

Molecular Formula
C34H67O8P
SMILES
CC(C)CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C34H67O8P/c1-30(2)24-20-16-12-8-6-5-7-9-15-19-23-27-34(36)42-32(29-41-43(37,38)39)28-40-33(35)26-22-18-14-11-10-13-17-21-25-31(3)4/h30-32H,5-29H2,1-4H3,(H2,37,38,39)/t32-/m1/s1
InChIKey
WTHPUSAUAPBFSV-JGCGQSQUSA-N
Compound name
[(2R)-1-(12-methyltridecanoyloxy)-3-phosphonooxypropan-2-yl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

634.45734 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.46462 260.0
[M+Na]+ 657.44656 260.6
[M+NH4]+ 652.49116 265.7
[M+K]+ 673.42050 260.6
[M-H]- 633.45006 251.4
[M+Na-2H]- 655.43201 260.6
[M]+ 634.45679 258.3
[M]- 634.45789 258.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.