CID 49791756

1-octadecylglycerone 3-phosphate

Structural Information

Molecular Formula
C21H43O6P
SMILES
CCCCCCCCCCCCCCCCCCOCC(=O)COP(=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/h2-20H2,1H3,(H2,23,24,25)
InChIKey
DSLZSTBYLRGPIK-UHFFFAOYSA-N
Compound name
(3-octadecoxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

422.27972 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28700 207.2
[M+Na]+ 445.26894 210.3
[M-H]- 421.27244 197.1
[M+NH4]+ 440.31354 206.4
[M+K]+ 461.24288 205.5
[M+H-H2O]+ 405.27698 198.2
[M+HCOO]- 467.27792 218.8
[M+CH3COO]- 481.29357 225.1
[M+Na-2H]- 443.25439 192.6
[M]+ 422.27917 204.9
[M]- 422.28027 204.9
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.