CID 52929447

Pa(21:0/12:0)

Structural Information

Molecular Formula
C36H71O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C36H71O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-22-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
InChIKey
LZTPSZSRJRCNNO-UUWRZZSWSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

662.48865 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.49593 264.8
[M+Na]+ 685.47787 265.7
[M-H]- 661.48137 254.1
[M+NH4]+ 680.52247 268.6
[M+K]+ 701.45181 267.5
[M+H-H2O]+ 645.48591 255.4
[M+HCOO]- 707.48685 266.4
[M+CH3COO]- 721.50250 270.5
[M+Na-2H]- 683.46332 244.3
[M]+ 662.48810 263.1
[M]- 662.48920 263.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.