CID 101391787

Pon-pa

Structural Information

Molecular Formula
C28H53O9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C28H53O9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-27(30)35-24-26(25-36-38(32,33)34)37-28(31)22-19-16-13-14-17-20-23-29/h23,26H,2-22,24-25H2,1H3,(H2,32,33,34)/t26-/m1/s1
InChIKey
DQLZFJTVJNXVFN-AREMUKBSSA-N
Compound name
[(2R)-2-(9-oxononanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.3427 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.34998 238.7
[M+Na]+ 587.33192 241.1
[M-H]- 563.33542 232.4
[M+NH4]+ 582.37652 243.8
[M+K]+ 603.30586 239.1
[M+H-H2O]+ 547.33996 230.4
[M+HCOO]- 609.34090 244.2
[M+CH3COO]- 623.35655 249.6
[M+Na-2H]- 585.31737 221.7
[M]+ 564.34215 237.1
[M]- 564.34325 237.1
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.