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
1
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]+ 513.318676 226.2
[M+Na]+ 535.300618 226.0
[M-H]- 511.304124 218.9
[M+NH4]+ 530.345223 226.0
[M+K]+ 551.274558 223.3
[M+H-H2O]+ 495.308660 215.7
[M+HCOO]- 557.309601 228.3
[M+CH3COO]- 571.325251 236.1
[M+Na-2H]- 533.286066 208.4
[M]+ 512.31085142 222.1
[M]- 512.31194858 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.