CID 9546803

1,2-didecanoyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C25H50NO8P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC
InChI
InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/t23-/m1/s1
InChIKey
KKOSJVWUOHEQKA-HSZRJFAPSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

523.3274 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.33468 229.9
[M+Na]+ 546.31662 234.7
[M-H]- 522.32012 225.6
[M+NH4]+ 541.36122 234.3
[M+K]+ 562.29056 230.5
[M+H-H2O]+ 506.32466 221.4
[M+HCOO]- 568.32560 234.9
[M+CH3COO]- 582.34125 247.0
[M+Na-2H]- 544.30207 214.3
[M]+ 523.32685 225.9
[M]- 523.32795 225.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe