CID 131821976

Pa(20:0/8:0)

Structural Information

Molecular Formula
C31H61O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
InChI
InChI=1S/C31H61O8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-21-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
BLOVCFLMJNFKPP-GDLZYMKVSA-N
Compound name
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.4104 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41768 247.7
[M+Na]+ 615.39962 249.5
[M-H]- 591.40312 238.9
[M+NH4]+ 610.44422 251.6
[M+K]+ 631.37356 249.2
[M+H-H2O]+ 575.40766 238.8
[M+HCOO]- 637.40860 251.3
[M+CH3COO]- 651.42425 256.8
[M+Na-2H]- 613.38507 229.3
[M]+ 592.40985 245.8
[M]- 592.41095 245.8
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.