CID 9546723

Pc(p-17:0/0:0)

Structural Information

Molecular Formula
C25H53NO6P
SMILES
CCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25(27)24-32-33(28,29)31-22-20-26(2,3)4/h19,21,25,27H,5-18,20,22-24H2,1-4H3/p+1/b21-19-/t25-/m1/s1
InChIKey
JJALPXFJIIZPRV-HFQDTZRISA-O
Compound name
2-[[(2R)-3-[(Z)-heptadec-1-enoxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

494.36105 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.36833 228.7
[M+Na]+ 517.35027 231.6
[M-H]- 493.35377 222.5
[M+NH4]+ 512.39487 229.8
[M+K]+ 533.32421 227.2
[M+H-H2O]+ 477.35831 212.9
[M+HCOO]- 539.35925 242.4
[M+CH3COO]- 553.37490 236.7
[M+Na-2H]- 515.33572 212.4
[M]+ 494.36050 224.8
[M]- 494.36160 224.8
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

patents stripe