CID 52924961

Pe(o-16:0/15:1(9z))

Structural Information

Molecular Formula
C36H72NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,35H,3-11,13,15-34,37H2,1-2H3,(H,39,40)/b14-12-/t35-/m1/s1
InChIKey
QJEHMYLAMHTGAL-KAVVYCDUSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.50464 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.51192 265.1
[M+Na]+ 684.49386 267.9
[M-H]- 660.49736 254.4
[M+NH4]+ 679.53846 266.9
[M+K]+ 700.46780 267.9
[M+H-H2O]+ 644.50190 254.6
[M+HCOO]- 706.50284 268.1
[M+CH3COO]- 720.51849 275.2
[M+Na-2H]- 682.47931 244.6
[M]+ 661.50409 260.6
[M]- 661.50519 260.6
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.