CID 131821883

Pa(15:0/24:1(15z))

Structural Information

Molecular Formula
C42H81O8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H81O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40H,3-16,19-39H2,1-2H3,(H2,45,46,47)/b18-17-/t40-/m1/s1
InChIKey
UOUMUCYXFCRRMM-LQOXNGKESA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

744.5669 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.57418 284.0
[M+Na]+ 767.55612 284.4
[M+NH4]+ 762.60072 287.8
[M+K]+ 783.53006 285.7
[M-H]- 743.55962 271.1
[M+Na-2H]- 765.54157 281.8
[M]+ 744.56635 281.3
[M]- 744.56745 281.3
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.