CID 131822498

Pa(i-20:0/8:0)

Structural Information

Molecular Formula
C31H61O8P
SMILES
CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C31H61O8P/c1-4-5-6-17-22-25-31(33)39-29(27-38-40(34,35)36)26-37-30(32)24-21-19-16-14-12-10-8-7-9-11-13-15-18-20-23-28(2)3/h28-29H,4-27H2,1-3H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
XDMRMQUABDRFBP-GDLZYMKVSA-N
Compound name
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.4104 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41768 249.4
[M+Na]+ 615.39962 250.4
[M+NH4]+ 610.44422 254.4
[M+K]+ 631.37356 249.8
[M-H]- 591.40312 240.6
[M+Na-2H]- 613.38507 250.7
[M]+ 592.40985 247.6
[M]- 592.41095 247.6
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.