CID 134812510

Oov-pa

Structural Information

Molecular Formula
C26H47O9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC=O
InChI
InChI=1S/C26H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(28)33-22-24(23-34-36(30,31)32)35-26(29)20-17-18-21-27/h9-10,21,24H,2-8,11-20,22-23H2,1H3,(H2,30,31,32)/b10-9-/t24-/m1/s1
InChIKey
JHXBXWDXAHPHCM-OPSAWKISSA-N
Compound name
[(2R)-2-(5-oxopentanoyloxy)-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.2958 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.30308 229.6
[M+Na]+ 557.28502 233.0
[M-H]- 533.28852 224.9
[M+NH4]+ 552.32962 235.1
[M+K]+ 573.25896 229.6
[M+H-H2O]+ 517.29306 221.5
[M+HCOO]- 579.29400 236.8
[M+CH3COO]- 593.30965 242.6
[M+Na-2H]- 555.27047 214.0
[M]+ 534.29525 227.8
[M]- 534.29635 227.8
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.