CID 11647495

1-oleyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C21H43O6P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C21H43O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h9-10,21-22H,2-8,11-20H2,1H3,(H2,23,24,25)/b10-9-/t21-/m1/s1
InChIKey
SEMUMSNWRXJZTJ-VFCOFNOGSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

422.27972 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28700 206.5
[M+Na]+ 445.26894 208.6
[M-H]- 421.27244 196.1
[M+NH4]+ 440.31354 203.5
[M+K]+ 461.24288 203.8
[M+H-H2O]+ 405.27698 196.2
[M+HCOO]- 467.27792 216.5
[M+CH3COO]- 481.29357 222.1
[M+Na-2H]- 443.25439 191.1
[M]+ 422.27917 202.8
[M]- 422.28027 202.8
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

patents stripe