CID 53479605

Pe(16:1(9z)/p-16:0)

Structural Information

Molecular Formula
C37H72NO7P
SMILES
CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,32,36H,3-13,15,17-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b16-14-,32-29-/t36-/m1/s1
InChIKey
VNAHWIQCBOQKAJ-LSHIAAAISA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

673.50464 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.51192 265.8
[M+Na]+ 696.49386 269.7
[M+NH4]+ 691.53846 269.5
[M+K]+ 712.46780 269.1
[M-H]- 672.49736 255.2
[M+Na-2H]- 694.47931 265.9
[M]+ 673.50409 264.1
[M]- 673.50519 264.1
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.