CID 45479454

Pg(0:0/18:0)

Structural Information

Molecular Formula
C24H49O9P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(CO)O
InChI
InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)
InChIKey
ZYKIFISVQNGKFE-UHFFFAOYSA-N
Compound name
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

512.3114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.31868 226.2
[M+Na]+ 535.30062 226.0
[M-H]- 511.30412 218.9
[M+NH4]+ 530.34522 226.0
[M+K]+ 551.27456 223.3
[M+H-H2O]+ 495.30866 215.7
[M+HCOO]- 557.30960 228.3
[M+CH3COO]- 571.32525 236.1
[M+Na-2H]- 533.28607 208.4
[M]+ 512.31085 222.1
[M]- 512.31195 222.1
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

No patent data available for this compound.