CID 52924133

Pe(14:1(9z)/16:1(9z))

Structural Information

Molecular Formula
C35H66NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C35H66NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,33H,3-9,11,14,16-32,36H2,1-2H3,(H,39,40)/b12-10-,15-13-/t33-/m1/s1
InChIKey
ZXHZOZOKRSLOIE-HMDBOOPKSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

659.4526 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.45988 259.8
[M+Na]+ 682.44182 264.0
[M+NH4]+ 677.48642 264.9
[M+K]+ 698.41576 263.4
[M-H]- 658.44532 252.4
[M+Na-2H]- 680.42727 261.4
[M]+ 659.45205 259.2
[M]- 659.45315 259.2
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.