CID 131821907

Pa(18:1(11z)/16:0)

Structural Information

Molecular Formula
C37H71O8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)O
InChI
InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
InChIKey
MVJLJVFGNPWDHA-JUOLSMOWSA-N
Compound name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] (Z)-octadec-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.