CID 134812503

Pov-pa

Structural Information

Molecular Formula
C24H45O9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC=O
InChI
InChI=1S/C24H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(26)31-20-22(21-32-34(28,29)30)33-24(27)18-15-16-19-25/h19,22H,2-18,20-21H2,1H3,(H2,28,29,30)/t22-/m1/s1
InChIKey
VBHDGFSMWJQFFD-JOCHJYFZSA-N
Compound name
[(2R)-2-(5-oxopentanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.28012 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.28740 224.4
[M+Na]+ 531.26934 227.5
[M-H]- 507.27284 219.7
[M+NH4]+ 526.31394 229.6
[M+K]+ 547.24328 223.8
[M+H-H2O]+ 491.27738 216.5
[M+HCOO]- 553.27832 231.6
[M+CH3COO]- 567.29397 238.3
[M+Na-2H]- 529.25479 209.2
[M]+ 508.27957 222.8
[M]- 508.28067 222.8
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.