CID 52924042

Pc(15:1(9z)/0:0)

Structural Information

Molecular Formula
C23H47NO7P
SMILES
CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C23H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24(2,3)4/h9-10,22,25H,5-8,11-21H2,1-4H3/p+1/b10-9-/t22-/m1/s1
InChIKey
SUCJIOBGMPMVBJ-MZMPXXGTSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.30902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.31630 220.3
[M+Na]+ 503.29824 224.2
[M-H]- 479.30174 217.9
[M+NH4]+ 498.34284 224.2
[M+K]+ 519.27218 219.0
[M+H-H2O]+ 463.30628 205.6
[M+HCOO]- 525.30722 233.2
[M+CH3COO]- 539.32287 231.7
[M+Na-2H]- 501.28369 205.8
[M]+ 480.30847 216.8
[M]- 480.30957 216.8
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

No patent data available for this compound.