CID 9546942

Pe(13:0/13:0)

Structural Information

Molecular Formula
C31H62NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C31H62NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-30(33)37-27-29(28-39-41(35,36)38-26-25-32)40-31(34)24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28,32H2,1-2H3,(H,35,36)/t29-/m1/s1
InChIKey
GLVKHGQULFMGAQ-GDLZYMKVSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

607.4213 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.42858 250.9
[M+Na]+ 630.41052 254.6
[M-H]- 606.41402 244.3
[M+NH4]+ 625.45512 255.2
[M+K]+ 646.38446 252.9
[M+H-H2O]+ 590.41856 241.7
[M+HCOO]- 652.41950 253.5
[M+CH3COO]- 666.43515 263.9
[M+Na-2H]- 628.39597 232.7
[M]+ 607.42075 247.0
[M]- 607.42185 247.0
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

patents stripe