CID 134812376

Ohooa-pe

Structural Information

Molecular Formula
C31H56NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(/C=C/C=O)O
InChI
InChI=1S/C31H56NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(35)39-26-29(27-41-43(37,38)40-25-23-32)42-31(36)22-17-19-28(34)20-18-24-33/h9-10,18,20,24,28-29,34H,2-8,11-17,19,21-23,25-27,32H2,1H3,(H,37,38)/b10-9-,20-18+/t28?,29-/m1/s1
InChIKey
GFCRYWOYJDLNJO-UIUMVAMOSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.3642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.37148 249.4
[M+Na]+ 656.35342 253.3
[M-H]- 632.35692 247.4
[M+NH4]+ 651.39802 255.3
[M+K]+ 672.32736 250.7
[M+H-H2O]+ 616.36146 239.9
[M+HCOO]- 678.36240 250.1
[M+CH3COO]- 692.37805 262.9
[M+Na-2H]- 654.33887 231.8
[M]+ 633.36365 245.0
[M]- 633.36475 245.0
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.