CID 52924088

Pe(13:0/12:0)

Structural Information

Molecular Formula
C30H60NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H60NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31)39-30(33)23-21-19-17-14-12-10-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1
InChIKey
SJAHVXJYIFHZIZ-MUUNZHRXSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.40564 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.41292 247.5
[M+Na]+ 616.39486 251.4
[M-H]- 592.39836 241.3
[M+NH4]+ 611.43946 251.7
[M+K]+ 632.36880 249.3
[M+H-H2O]+ 576.40290 238.4
[M+HCOO]- 638.40384 250.4
[M+CH3COO]- 652.41949 261.1
[M+Na-2H]- 614.38031 229.7
[M]+ 593.40509 243.5
[M]- 593.40619 243.5
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.