CID 131822304

Pa(21:0/a-17:0)

Structural Information

Molecular Formula
C41H81O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C41H81O8P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-40(42)47-36-39(37-48-50(44,45)46)49-41(43)35-32-29-26-23-20-19-21-24-27-30-33-38(3)5-2/h38-39H,4-37H2,1-3H3,(H2,44,45,46)/t38?,39-/m1/s1
InChIKey
HKHFEGGMOGJOMC-KLMICZSBSA-N
Compound name
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.5669 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.57418 283.1
[M+Na]+ 755.55612 283.2
[M+NH4]+ 750.60072 287.8
[M+K]+ 771.53006 284.4
[M-H]- 731.55962 271.0
[M+Na-2H]- 753.54157 281.2
[M]+ 732.56635 280.6
[M]- 732.56745 280.6
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.