CID 131821010

Pe-nme2(14:1(9z)/18:2(9z,12z))

Structural Information

Molecular Formula
C39H72NO8P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C39H72NO8P/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3)4)35-45-38(41)31-29-27-25-23-21-16-14-12-10-8-6-2/h12-15,18-19,37H,5-11,16-17,20-36H2,1-4H3,(H,43,44)/b14-12-,15-13-,19-18-
InChIKey
AXJQXRPASKNEIP-LXUIFYRWSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

713.4996 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.50688 278.4
[M+Na]+ 736.48882 282.2
[M+NH4]+ 731.53342 285.1
[M+K]+ 752.46276 282.3
[M-H]- 712.49232 271.1
[M+Na-2H]- 734.47427 278.9
[M]+ 713.49905 278.2
[M]- 713.50015 278.2
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.