CID 171118745

1- lignoceryl glycerone-3-phosphate

Structural Information

Molecular Formula
C27H55O6P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C27H55O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-25-27(28)26-33-34(29,30)31/h2-26H2,1H3,(H2,29,30,31)
InChIKey
KWYSZFWJBKCTPV-UHFFFAOYSA-N
Compound name
(2-oxo-3-tetracosoxypropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.37363 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.38091 229.0
[M+Na]+ 529.36285 230.9
[M-H]- 505.36635 216.5
[M+NH4]+ 524.40745 228.0
[M+K]+ 545.33679 228.7
[M+H-H2O]+ 489.37089 219.2
[M+HCOO]- 551.37183 238.2
[M+CH3COO]- 565.38748 242.5
[M+Na-2H]- 527.34830 211.6
[M]+ 506.37308 226.3
[M]- 506.37418 226.3
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.