CID 52924132

Pe(14:1(9z)/16:0)

Structural Information

Molecular Formula
C35H68NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C35H68NO8P/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/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10-/t33-/m1/s1
InChIKey
IXIBEFBSXYIWMP-ALMVXPMNSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

661.46826 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.47554 262.3
[M+Na]+ 684.45748 265.9
[M-H]- 660.46098 255.0
[M+NH4]+ 679.50208 266.8
[M+K]+ 700.43142 265.4
[M+H-H2O]+ 644.46552 252.7
[M+HCOO]- 706.46646 264.1
[M+CH3COO]- 720.48211 273.6
[M+Na-2H]- 682.44293 242.9
[M]+ 661.46771 258.3
[M]- 661.46881 258.3
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.