CID 52925835

Ps(22:1(11z)/12:0)

Structural Information

Molecular Formula
C40H76NO10P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-23-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36-,37+/m1/s1
InChIKey
JFLAYTFIAQTTPK-DAQGAKHBSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-11-enoyl]oxy-2-dodecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

761.5207 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.52798 280.4
[M+Na]+ 784.50992 282.6
[M-H]- 760.51342 275.6
[M+NH4]+ 779.55452 287.4
[M+K]+ 800.48386 284.7
[M+H-H2O]+ 744.51796 270.5
[M+HCOO]- 806.51890 274.2
[M+CH3COO]- 820.53455 288.9
[M+Na-2H]- 782.49537 259.3
[M]+ 761.52015 277.5
[M]- 761.52125 277.5
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.