CID 52929770

Pa(p-20:0/0:0)

Structural Information

Molecular Formula
C23H47O6P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C23H47O6P/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/h19-20,23-24H,2-18,21-22H2,1H3,(H2,25,26,27)/b20-19-/t23-/m1/s1
InChIKey
SPWZKHQASBLBQR-LJSVLAKTSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-icos-1-enoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.31104 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.31832 213.8
[M+Na]+ 473.30026 215.5
[M-H]- 449.30376 202.6
[M+NH4]+ 468.34486 210.7
[M+K]+ 489.27420 211.6
[M+H-H2O]+ 433.30830 203.3
[M+HCOO]- 495.30924 222.9
[M+CH3COO]- 509.32489 227.9
[M+Na-2H]- 471.28571 197.5
[M]+ 450.31049 209.9
[M]- 450.31159 209.9
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.