CID 134812511

Oon-pa

Structural Information

Molecular Formula
C30H55O9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C30H55O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-29(32)37-26-28(27-38-40(34,35)36)39-30(33)24-21-18-15-16-19-22-25-31/h9-10,25,28H,2-8,11-24,26-27H2,1H3,(H2,34,35,36)/b10-9-/t28-/m1/s1
InChIKey
SUPBGTZKXSWYCR-YLUWWHAYSA-N
Compound name
[(2R)-2-(9-oxononanoyloxy)-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.3584 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.36568 243.7
[M+Na]+ 613.34762 246.4
[M-H]- 589.35112 237.5
[M+NH4]+ 608.39222 249.1
[M+K]+ 629.32156 244.7
[M+H-H2O]+ 573.35566 235.2
[M+HCOO]- 635.35660 249.3
[M+CH3COO]- 649.37225 253.8
[M+Na-2H]- 611.33307 226.3
[M]+ 590.35785 242.0
[M]- 590.35895 242.0
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.