CID 131821908

Pa(18:1(11z)/16:1(9z))

Structural Information

Molecular Formula
C37H69O8P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C37H69O8P/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/h13-16,35H,3-12,17-34H2,1-2H3,(H2,40,41,42)/b15-13-,16-14-/t35-/m1/s1
InChIKey
GLZNXLKBZKJBCJ-NAFNZUQFSA-N
Compound name
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

672.473 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.48028 265.2
[M+Na]+ 695.46222 266.6
[M+NH4]+ 690.50682 269.1
[M+K]+ 711.43616 266.8
[M-H]- 671.46572 254.7
[M+Na-2H]- 693.44767 265.1
[M]+ 672.47245 263.2
[M]- 672.47355 263.2
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.