CID 131822366

Pa(a-13:0/i-19:0)

Structural Information

Molecular Formula
C35H69O8P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C35H69O8P/c1-5-32(4)26-22-18-15-16-19-23-27-34(36)41-29-33(30-42-44(38,39)40)43-35(37)28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33H,5-30H2,1-4H3,(H2,38,39,40)/t32?,33-/m1/s1
InChIKey
YONOJLGVNHMSOU-ZHZZGXISSA-N
Compound name
[(2R)-1-(10-methyldodecanoyloxy)-3-phosphonooxypropan-2-yl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.473 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.48028 263.4
[M+Na]+ 671.46222 263.9
[M+NH4]+ 666.50682 269.0
[M+K]+ 687.43616 264.1
[M-H]- 647.46572 254.4
[M+Na-2H]- 669.44767 263.7
[M]+ 648.47245 261.7
[M]- 648.47355 261.7
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.