CID 131822343

Pa(8:0/i-14:0)

Structural Information

Molecular Formula
C25H49O8P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C25H49O8P/c1-4-5-6-11-15-18-24(26)31-20-23(21-32-34(28,29)30)33-25(27)19-16-13-10-8-7-9-12-14-17-22(2)3/h22-23H,4-21H2,1-3H3,(H2,28,29,30)/t23-/m1/s1
InChIKey
SLVOCLYNHWBMJO-HSZRJFAPSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.3165 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.32378 226.0
[M+Na]+ 531.30572 229.5
[M-H]- 507.30922 221.1
[M+NH4]+ 526.35032 231.7
[M+K]+ 547.27966 227.2
[M+H-H2O]+ 491.31376 218.4
[M+HCOO]- 553.31470 229.7
[M+CH3COO]- 567.33035 240.7
[M+Na-2H]- 529.29117 211.0
[M]+ 508.31595 224.4
[M]- 508.31705 224.4
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.