CID 131822276

Pa(10:0/i-21:0)

Structural Information

Molecular Formula
C34H67O8P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H67O8P/c1-4-5-6-7-17-21-24-27-33(35)40-29-32(30-41-43(37,38)39)42-34(36)28-25-22-19-16-14-12-10-8-9-11-13-15-18-20-23-26-31(2)3/h31-32H,4-30H2,1-3H3,(H2,37,38,39)/t32-/m1/s1
InChIKey
SDQMCZFBSCULLG-JGCGQSQUSA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

634.45734 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.46462 259.7
[M+Na]+ 657.44656 260.4
[M+NH4]+ 652.49116 264.6
[M+K]+ 673.42050 260.3
[M-H]- 633.45006 249.9
[M+Na-2H]- 655.43201 260.0
[M]+ 634.45679 257.7
[M]- 634.45789 257.7
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.