CID 134812517

Okooa-pa

Structural Information

Molecular Formula
C29H49O10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)/C=C/C=O
InChI
InChI=1S/C29H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)37-24-27(25-38-40(34,35)36)39-29(33)22-17-19-26(31)20-18-23-30/h9-10,18,20,23,27H,2-8,11-17,19,21-22,24-25H2,1H3,(H2,34,35,36)/b10-9-,20-18+/t27-/m1/s1
InChIKey
UVIYMCDHXVPFLM-FWLMWTQPSA-N
Compound name
[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.30634 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.31362 240.3
[M+Na]+ 611.29556 244.3
[M-H]- 587.29906 238.2
[M+NH4]+ 606.34016 248.7
[M+K]+ 627.26950 241.8
[M+H-H2O]+ 571.30360 232.7
[M+HCOO]- 633.30454 245.4
[M+CH3COO]- 647.32019 251.6
[M+Na-2H]- 609.28101 224.5
[M]+ 588.30579 239.1
[M]- 588.30689 239.1
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.