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]+ 511.303056 225.3
[M+Na]+ 533.284998 226.8
[M-H]- 509.288504 219.4
[M+NH4]+ 528.329603 227.8
[M+K]+ 549.258938 223.6
[M+H-H2O]+ 493.293040 216.2
[M+HCOO]- 555.293981 230.0
[M+CH3COO]- 569.309631 236.9
[M+Na-2H]- 531.270446 208.8
[M]+ 510.29523142 222.4
[M]- 510.29632858 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.