CID 52929058

Pa(19:0/19:1(9z))

Structural Information

Molecular Formula
C41H79O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C41H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,39H,3-19,21,23-38H2,1-2H3,(H2,44,45,46)/b22-20-/t39-/m1/s1
InChIKey
BFVGTISAGYBKLA-NTELOHIQSA-N
Compound name
[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

730.5513 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.55858 279.2
[M+Na]+ 753.54052 279.8
[M-H]- 729.54402 267.4
[M+NH4]+ 748.58512 283.2
[M+K]+ 769.51446 283.2
[M+H-H2O]+ 713.54856 269.2
[M+HCOO]- 775.54950 279.7
[M+CH3COO]- 789.56515 282.7
[M+Na-2H]- 751.52597 257.2
[M]+ 730.55075 277.6
[M]- 730.55185 277.6
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.