CID 52929608

Pa(o-20:0/14:1(9z))

Structural Information

Molecular Formula
C37H73O7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C37H73O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-42-34-36(35-43-45(39,40)41)44-37(38)32-30-28-26-24-22-14-12-10-8-6-4-2/h10,12,36H,3-9,11,13-35H2,1-2H3,(H2,39,40,41)/b12-10-/t36-/m1/s1
InChIKey
AJKGDJQBXVJTJZ-RENWGTOJSA-N
Compound name
[(2R)-1-icosoxy-3-phosphonooxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.5094 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.51668 264.8
[M+Na]+ 683.49862 265.6
[M-H]- 659.50212 251.5
[M+NH4]+ 678.54322 266.2
[M+K]+ 699.47256 267.4
[M+H-H2O]+ 643.50666 254.5
[M+HCOO]- 705.50760 268.5
[M+CH3COO]- 719.52325 270.9
[M+Na-2H]- 681.48407 243.7
[M]+ 660.50885 262.4
[M]- 660.50995 262.4
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.