CID 52929598

Pa(o-18:0/20:1(11z))

Structural Information

Molecular Formula
C41H81O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H81O7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-39H2,1-2H3,(H2,43,44,45)/b19-17-/t40-/m1/s1
InChIKey
ICOZNRVLAYFOCU-QCFYSATCSA-N
Compound name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

716.572 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.57928 278.0
[M+Na]+ 739.56122 278.1
[M-H]- 715.56472 263.2
[M+NH4]+ 734.60582 279.4
[M+K]+ 755.53516 281.6
[M+H-H2O]+ 699.56926 267.3
[M+HCOO]- 761.57020 280.2
[M+CH3COO]- 775.58585 281.8
[M+Na-2H]- 737.54667 255.3
[M]+ 716.57145 275.8
[M]- 716.57255 275.8
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.