CID 134812475

Oov-pg

Structural Information

Molecular Formula
C29H53O11P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC=O
InChI
InChI=1S/C29H53O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(33)37-24-27(40-29(34)20-17-18-21-30)25-39-41(35,36)38-23-26(32)22-31/h9-10,21,26-27,31-32H,2-8,11-20,22-25H2,1H3,(H,35,36)/b10-9-/t26-,27+/m0/s1
InChIKey
FEMJGSQKGSXJBD-GCTAQDMASA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-oxopentanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.3325 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.33978 247.2
[M+Na]+ 631.32172 248.3
[M-H]- 607.32522 243.5
[M+NH4]+ 626.36632 253.2
[M+K]+ 647.29566 246.6
[M+H-H2O]+ 591.32976 238.3
[M+HCOO]- 653.33070 248.8
[M+CH3COO]- 667.34635 253.5
[M+Na-2H]- 629.30717 229.0
[M]+ 608.33195 245.5
[M]- 608.33305 245.5
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.