CID 52929680

Pa(p-16:0/22:1(11z))

Structural Information

Molecular Formula
C41H79O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C41H79O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h20-21,35,37,40H,3-19,22-34,36,38-39H2,1-2H3,(H2,43,44,45)/b21-20-,37-35-/t40-/m1/s1
InChIKey
LDGJRDWMDMCUGP-NEFGLTJMSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.55634 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.56362 275.8
[M+Na]+ 737.54556 276.5
[M-H]- 713.54906 261.8
[M+NH4]+ 732.59016 277.5
[M+K]+ 753.51950 279.5
[M+H-H2O]+ 697.55360 265.1
[M+HCOO]- 759.55454 278.8
[M+CH3COO]- 773.57019 280.5
[M+Na-2H]- 735.53101 253.6
[M]+ 714.55579 273.4
[M]- 714.55689 273.4
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.