CID 52924129

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

Structural Information

Molecular Formula
C33H64NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C33H64NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,31H,3-8,10,12-30,34H2,1-2H3,(H,37,38)/b11-9-/t31-/m1/s1
InChIKey
FGWIVUFUAVCXMN-HEDIVAJHSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

633.43695 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.44423 255.3
[M+Na]+ 656.42617 259.2
[M+NH4]+ 651.47077 260.4
[M+K]+ 672.40011 258.3
[M-H]- 632.42967 247.8
[M+Na-2H]- 654.41162 257.1
[M]+ 633.43640 254.5
[M]- 633.43750 254.5
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.