CID 52929769

1-eicosyl-glycero-3-phosphate

Structural Information

Molecular Formula
C23H49O6P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C23H49O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-23(24)22-29-30(25,26)27/h23-24H,2-22H2,1H3,(H2,25,26,27)/t23-/m1/s1
InChIKey
QJMMUVQGRUQFOP-HSZRJFAPSA-N
Compound name
[(2R)-2-hydroxy-3-icosoxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.3267 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.33398 216.3
[M+Na]+ 475.31592 217.4
[M-H]- 451.31942 204.2
[M+NH4]+ 470.36052 212.8
[M+K]+ 491.28986 213.9
[M+H-H2O]+ 435.32396 205.7
[M+HCOO]- 497.32490 224.6
[M+CH3COO]- 511.34055 229.4
[M+Na-2H]- 473.30137 199.4
[M]+ 452.32615 212.6
[M]- 452.32725 212.6
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.