CID 11825433

1-hexadecyl lysophosphatidic acid

Structural Information

Molecular Formula
C19H41O6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C19H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19-20H,2-18H2,1H3,(H2,21,22,23)/t19-/m1/s1
InChIKey
XLVRFPVHQPHXAA-LJQANCHMSA-N
Compound name
[(2R)-3-hexadecoxy-2-hydroxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

15
Patents

396.26407 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27135 201.5
[M+Na]+ 419.25329 203.4
[M-H]- 395.25679 191.1
[M+NH4]+ 414.29789 198.3
[M+K]+ 435.22723 198.3
[M+H-H2O]+ 379.26133 198.7
[M+HCOO]- 441.26227 211.5
[M+CH3COO]- 455.27792 217.7
[M+Na-2H]- 417.23874 203.2
[M]+ 396.26352 198.2
[M]- 396.26462 198.2
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