CID 52924113

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

Structural Information

Molecular Formula
C33H64NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCC
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/h10,12,31H,3-9,11,13-30,34H2,1-2H3,(H,37,38)/b12-10-/t31-/m1/s1
InChIKey
KKYHRRVXUVMRJB-QPLOXXCYSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
4
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 255.6
[M+Na]+ 656.42617 259.5
[M-H]- 632.42967 249.0
[M+NH4]+ 651.47077 260.1
[M+K]+ 672.40011 258.2
[M+H-H2O]+ 616.43421 246.2
[M+HCOO]- 678.43515 258.2
[M+CH3COO]- 692.45080 268.1
[M+Na-2H]- 654.41162 237.0
[M]+ 633.43640 251.5
[M]- 633.43750 251.5
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.