CID 131821861

Pa(10:0/21:0)

Structural Information

Molecular Formula
C34H67O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C34H67O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,37,38,39)/t32-/m1/s1
InChIKey
WMPKLXMEMJREFC-JGCGQSQUSA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

634.45734 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.46462 259.4
[M+Na]+ 657.44656 260.2
[M+NH4]+ 652.49116 263.5
[M+K]+ 673.42050 260.0
[M-H]- 633.45006 248.4
[M+Na-2H]- 655.43201 259.4
[M]+ 634.45679 257.1
[M]- 634.45789 257.1
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.