CID 9546718

Pc(p-14:0/0:0)

Structural Information

Molecular Formula
C22H47NO6P
SMILES
CCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C22H46NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-27-20-22(24)21-29-30(25,26)28-19-17-23(2,3)4/h16,18,22,24H,5-15,17,19-21H2,1-4H3/p+1/b18-16-/t22-/m1/s1
InChIKey
AAFONNYQRYRPOU-APQDCOLYSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.3141 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.32138 217.7
[M+Na]+ 475.30332 221.2
[M-H]- 451.30682 212.7
[M+NH4]+ 470.34792 219.0
[M+K]+ 491.27726 215.6
[M+H-H2O]+ 435.31136 202.4
[M+HCOO]- 497.31230 232.7
[M+CH3COO]- 511.32795 227.9
[M+Na-2H]- 473.28877 202.9
[M]+ 452.31355 214.1
[M]- 452.31465 214.1
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