CID 5283490

Pc(17:1(9z)/0:0)

Structural Information

Molecular Formula
C25H51NO7P
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h11-12,24,27H,5-10,13-23H2,1-4H3/p+1/b12-11-/t24-/m1/s1
InChIKey
LPMGFNAQZPADDZ-FJIRUFBNSA-O
Compound name
2-[[(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.3403 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.34758 227.5
[M+Na]+ 531.32952 231.0
[M-H]- 507.33302 224.3
[M+NH4]+ 526.37412 231.3
[M+K]+ 547.30346 226.6
[M+H-H2O]+ 491.33756 212.6
[M+HCOO]- 553.33850 239.6
[M+CH3COO]- 567.35415 237.5
[M+Na-2H]- 529.31497 212.1
[M]+ 508.33975 223.9
[M]- 508.34085 223.9
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.