CID 52924089

Pe(13:0/14:1(9z))

Structural Information

Molecular Formula
C32H62NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C32H62NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)41-30(29-40-42(36,37)39-27-26-33)28-38-31(34)24-22-20-18-16-14-12-10-8-6-4-2/h9,11,30H,3-8,10,12-29,33H2,1-2H3,(H,36,37)/b11-9-/t30-/m1/s1
InChIKey
SYVVHHLOEIRCQF-QDKVJEPWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.4213 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.42858 252.1
[M+Na]+ 642.41052 256.3
[M-H]- 618.41402 246.0
[M+NH4]+ 637.45512 256.7
[M+K]+ 658.38446 254.6
[M+H-H2O]+ 602.41856 242.9
[M+HCOO]- 664.41950 255.2
[M+CH3COO]- 678.43515 265.3
[M+Na-2H]- 640.39597 234.0
[M]+ 619.42075 248.0
[M]- 619.42185 248.0
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.