CID 52929719

Pa(p-20:0/17:0)

Structural Information

Molecular Formula
C40H79O7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-45-37-39(38-46-48(42,43)44)47-40(41)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h34,36,39H,3-33,35,37-38H2,1-2H3,(H2,42,43,44)/b36-34-/t39-/m1/s1
InChIKey
KBVMEDQHQZZMCV-RVQZTHKRSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.55634 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.56362 274.8
[M+Na]+ 725.54556 275.0
[M-H]- 701.54906 260.3
[M+NH4]+ 720.59016 276.1
[M+K]+ 741.51950 278.1
[M+H-H2O]+ 685.55360 264.2
[M+HCOO]- 747.55454 277.3
[M+CH3COO]- 761.57019 279.1
[M+Na-2H]- 723.53101 252.5
[M]+ 702.55579 272.5
[M]- 702.55689 272.5
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.