CID 131822499

Pa(i-20:0/a-13:0)

Structural Information

Molecular Formula
C36H71O8P
SMILES
CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C36H71O8P/c1-5-33(4)27-23-19-16-17-21-25-29-36(38)44-34(31-43-45(39,40)41)30-42-35(37)28-24-20-15-13-11-9-7-6-8-10-12-14-18-22-26-32(2)3/h32-34H,5-31H2,1-4H3,(H2,39,40,41)/t33?,34-/m1/s1
InChIKey
GZBBEQIGODTTCI-MUADHRSZSA-N
Compound name
[(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

662.48865 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.49593 266.8
[M+Na]+ 685.47787 267.2
[M+NH4]+ 680.52247 272.4
[M+K]+ 701.45181 267.6
[M-H]- 661.48137 257.5
[M+Na-2H]- 683.46332 266.7
[M]+ 662.48810 265.0
[M]- 662.48920 265.0
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

No patent data available for this compound.