CID 134812368

Oon-pe

Structural Information

Molecular Formula
C32H60NO9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C32H60NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-31(35)39-28-30(29-41-43(37,38)40-27-25-33)42-32(36)24-21-18-15-16-19-22-26-34/h9-10,26,30H,2-8,11-25,27-29,33H2,1H3,(H,37,38)/b10-9-/t30-/m1/s1
InChIKey
ZYICSGMYRNCLFZ-ASYYJWOLSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(9-oxononanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.4006 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.40788 253.5
[M+Na]+ 656.38982 257.7
[M-H]- 632.39332 248.7
[M+NH4]+ 651.43442 259.1
[M+K]+ 672.36376 255.5
[M+H-H2O]+ 616.39786 244.4
[M+HCOO]- 678.39880 257.2
[M+CH3COO]- 692.41445 266.5
[M+Na-2H]- 654.37527 235.4
[M]+ 633.40005 249.8
[M]- 633.40115 249.8
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.