CID 135563773

Chebi:142761

Structural Information

Molecular Formula
C24H47O9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCO
InChI
InChI=1S/C24H47O9P/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/h22,25H,2-21H2,1H3,(H2,28,29,30)/t22-/m1/s1
InChIKey
QZAHTFSGMLGKKU-JOCHJYFZSA-N
Compound name
[(2R)-2-(5-hydroxypentanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.29578 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.30306 225.3
[M+Na]+ 533.28500 226.8
[M-H]- 509.28850 219.4
[M+NH4]+ 528.32960 227.8
[M+K]+ 549.25894 223.6
[M+H-H2O]+ 493.29304 216.2
[M+HCOO]- 555.29398 230.0
[M+CH3COO]- 569.30963 236.9
[M+Na-2H]- 531.27045 208.8
[M]+ 510.29523 222.4
[M]- 510.29633 222.4
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.