CID 131822472

Pa(i-14:0/i-14:0)

Structural Information

Molecular Formula
C31H61O8P
SMILES
CC(C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C31H61O8P/c1-27(2)21-17-13-9-5-7-11-15-19-23-30(32)37-25-29(26-38-40(34,35)36)39-31(33)24-20-16-12-8-6-10-14-18-22-28(3)4/h27-29H,5-26H2,1-4H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
VXVCWAQNPFRHIP-GDLZYMKVSA-N
Compound name
[(2R)-2-(12-methyltridecanoyloxy)-3-phosphonooxypropyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.4104 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41768 249.6
[M+Na]+ 615.39962 250.6
[M+NH4]+ 610.44422 255.4
[M+K]+ 631.37356 250.0
[M-H]- 591.40312 242.0
[M+Na-2H]- 613.38507 251.3
[M]+ 592.40985 248.2
[M]- 592.41095 248.2
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.