CID 131822422

Pa(a-25:0/i-15:0)

Structural Information

Molecular Formula
C43H85O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C43H85O8P/c1-5-40(4)34-30-26-22-18-14-12-10-8-6-7-9-11-13-15-19-23-27-31-35-42(44)49-37-41(38-50-52(46,47)48)51-43(45)36-32-28-24-20-16-17-21-25-29-33-39(2)3/h39-41H,5-38H2,1-4H3,(H2,46,47,48)/t40?,41-/m1/s1
InChIKey
DMEOEEWPQWSSKX-PUOOBJKZSA-N
Compound name
[(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

760.5982 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.60548 286.6
[M+Na]+ 783.58742 287.4
[M-H]- 759.59092 276.3
[M+NH4]+ 778.63202 293.6
[M+K]+ 799.56136 293.1
[M+H-H2O]+ 743.59546 277.6
[M+HCOO]- 805.59640 280.7
[M+CH3COO]- 819.61205 290.3
[M+Na-2H]- 781.57287 264.7
[M]+ 760.59765 286.2
[M]- 760.59875 286.2
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.