CID 20843305

Pg(0:0/16:0)

Structural Information

Molecular Formula
C22H45O9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(CO)O
InChI
InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)31-21(17-24)19-30-32(27,28)29-18-20(25)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)
InChIKey
ODJYINYQGFIIRK-UHFFFAOYSA-N
Compound name
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.28012 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.28740 219.0
[M+Na]+ 507.26934 219.2
[M-H]- 483.27284 212.5
[M+NH4]+ 502.31394 218.9
[M+K]+ 523.24328 215.7
[M+H-H2O]+ 467.27738 208.8
[M+HCOO]- 529.27832 221.9
[M+CH3COO]- 543.29397 230.4
[M+Na-2H]- 505.25479 202.1
[M]+ 484.27957 215.0
[M]- 484.28067 215.0
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.