CID 52929121

Pa(20:1(11z)/14:0)

Structural Information

Molecular Formula
C37H71O8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-21-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34H2,1-2H3,(H2,40,41,42)/b17-16-/t35-/m1/s1
InChIKey
WUBXLCAPDJXQTC-XHYHITGYSA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

674.48865 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.49593 267.4
[M+Na]+ 697.47787 268.3
[M+NH4]+ 692.52247 271.3
[M+K]+ 713.45181 268.6
[M-H]- 673.48137 256.1
[M+Na-2H]- 695.46332 266.8
[M]+ 674.48810 265.0
[M]- 674.48920 265.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.