CID 131822341

Pa(8:0/i-12:0)

Structural Information

Molecular Formula
C23H45O8P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C23H45O8P/c1-4-5-6-9-13-16-22(24)29-18-21(19-30-32(26,27)28)31-23(25)17-14-11-8-7-10-12-15-20(2)3/h20-21H,4-19H2,1-3H3,(H2,26,27,28)/t21-/m1/s1
InChIKey
AFEICCKBAPOWQX-OAQYLSRUSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.28522 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.29250 218.7
[M+Na]+ 503.27444 222.6
[M-H]- 479.27794 214.6
[M+NH4]+ 498.31904 224.6
[M+K]+ 519.24838 219.5
[M+H-H2O]+ 463.28248 211.5
[M+HCOO]- 525.28342 223.3
[M+CH3COO]- 539.29907 235.0
[M+Na-2H]- 501.25989 204.7
[M]+ 480.28467 217.2
[M]- 480.28577 217.2
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.