CID 131821862

Pa(10:0/22:0)

Structural Information

Molecular Formula
C35H69O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C35H69O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
InChIKey
SJYXHQSLIDIRRX-MGBGTMOVSA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.473 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.48028 262.8
[M+Na]+ 671.46222 263.4
[M+NH4]+ 666.50682 266.9
[M+K]+ 687.43616 263.5
[M-H]- 647.46572 251.5
[M+Na-2H]- 669.44767 262.5
[M]+ 648.47245 260.4
[M]- 648.47355 260.4
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.