CID 52929612

Pa(o-20:0/17:0)

Structural Information

Molecular Formula
C40H81O7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H81O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-45-37-39(38-46-48(42,43)44)47-40(41)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H2,42,43,44)/t39-/m1/s1
InChIKey
BZYKICTUTDYZQU-LDLOPFEMSA-N
Compound name
[(2R)-1-icosoxy-3-phosphonooxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.572 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.57928 277.1
[M+Na]+ 727.56122 276.7
[M-H]- 703.56472 261.8
[M+NH4]+ 722.60582 278.2
[M+K]+ 743.53516 280.3
[M+H-H2O]+ 687.56926 266.5
[M+HCOO]- 749.57020 278.8
[M+CH3COO]- 763.58585 280.3
[M+Na-2H]- 725.54667 254.3
[M]+ 704.57145 275.0
[M]- 704.57255 275.0
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.