CID 131822070

Pa(22:1(13z)/16:1(9z))

Structural Information

Molecular Formula
C41H77O8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h14,16-18,39H,3-13,15,19-38H2,1-2H3,(H2,44,45,46)/b16-14-,18-17-/t39-/m1/s1
InChIKey
CNYMPPYTQKSGDS-HNNDRFCVSA-N
Compound name
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-docos-13-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

728.5356 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.54288 278.6
[M+Na]+ 751.52482 279.6
[M+NH4]+ 746.56942 282.4
[M+K]+ 767.49876 280.6
[M-H]- 727.52832 266.8
[M+Na-2H]- 749.51027 277.2
[M]+ 728.53505 276.3
[M]- 728.53615 276.3
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.