CID 52924262

Pe(17:1(9z)/12:0)

Structural Information

Molecular Formula
C34H66NO8P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-18-12-10-8-6-4-2/h14-15,32H,3-13,16-31,35H2,1-2H3,(H,38,39)/b15-14-/t32-/m1/s1
InChIKey
DLDCOKSQMRRKDO-OVHUZXDGSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.4526 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.45988 258.9
[M+Na]+ 670.44182 262.7
[M-H]- 646.44532 252.0
[M+NH4]+ 665.48642 263.4
[M+K]+ 686.41576 261.8
[M+H-H2O]+ 630.44986 249.4
[M+HCOO]- 692.45080 261.2
[M+CH3COO]- 706.46645 270.8
[M+Na-2H]- 668.42727 240.0
[M]+ 647.45205 254.9
[M]- 647.45315 254.9
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.