CID 134812472

Oob-pg

Structural Information

Molecular Formula
C28H51O11P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCC=O
InChI
InChI=1S/C28H51O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27(32)36-23-26(39-28(33)19-17-20-29)24-38-40(34,35)37-22-25(31)21-30/h9-10,20,25-26,30-31H,2-8,11-19,21-24H2,1H3,(H,34,35)/b10-9-/t25-,26+/m0/s1
InChIKey
IKVMRKHEECFSMS-SYCADYHESA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.3169 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.32418 243.7
[M+Na]+ 617.30612 245.0
[M-H]- 593.30962 240.4
[M+NH4]+ 612.35072 249.7
[M+K]+ 633.28006 242.9
[M+H-H2O]+ 577.31416 234.9
[M+HCOO]- 639.31510 245.7
[M+CH3COO]- 653.33075 250.7
[M+Na-2H]- 615.29157 226.0
[M]+ 594.31635 241.9
[M]- 594.31745 241.9
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.