CID 52928919

Pa(18:1(9z)/17:1(9z))

Structural Information

Molecular Formula
C38H71O8P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C38H71O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h16-19,36H,3-15,20-35H2,1-2H3,(H2,41,42,43)/b18-16-,19-17-/t36-/m1/s1
InChIKey
KFJXBKXMZTWOBB-RVBXBWATSA-N
Compound name
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

686.48865 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.49593 267.2
[M+Na]+ 709.47787 269.0
[M-H]- 685.48137 257.4
[M+NH4]+ 704.52247 271.6
[M+K]+ 725.45181 270.7
[M+H-H2O]+ 669.48591 257.6
[M+HCOO]- 731.48685 269.8
[M+CH3COO]- 745.50250 273.5
[M+Na-2H]- 707.46332 246.9
[M]+ 686.48810 265.2
[M]- 686.48920 265.2
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.