CID 131822310

Pa(21:0/i-15:0)

Structural Information

Molecular Formula
C39H77O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C39H77O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-38(40)45-34-37(35-46-48(42,43)44)47-39(41)33-30-27-24-21-18-19-22-25-28-31-36(2)3/h36-37H,4-35H2,1-3H3,(H2,42,43,44)/t37-/m1/s1
InChIKey
SVJRNZBVVCUNFT-DIPNUNPCSA-N
Compound name
[(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

704.5356 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.54288 276.5
[M+Na]+ 727.52482 276.8
[M+NH4]+ 722.56942 281.3
[M+K]+ 743.49876 277.6
[M-H]- 703.52832 265.1
[M+Na-2H]- 725.51027 275.2
[M]+ 704.53505 274.2
[M]- 704.53615 274.2
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.