CID 5313835

Pc(o-11:1(10e)/2:0)

Structural Information

Molecular Formula
C21H43NO7P
SMILES
CC(=O)O[C@H](COCCCCCCCCCC=C)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C21H42NO7P/c1-6-7-8-9-10-11-12-13-14-16-26-18-21(29-20(2)23)19-28-30(24,25)27-17-15-22(3,4)5/h6,21H,1,7-19H2,2-5H3/p+1/t21-/m1/s1
InChIKey
BDCLOBVQLDSEOA-OAQYLSRUSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-undec-10-enoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.2777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.28498 214.2
[M+Na]+ 475.26692 219.5
[M-H]- 451.27042 212.9
[M+NH4]+ 470.31152 220.5
[M+K]+ 491.24086 213.5
[M+H-H2O]+ 435.27496 201.1
[M+HCOO]- 497.27590 229.5
[M+CH3COO]- 511.29155 229.0
[M+Na-2H]- 473.25237 201.4
[M]+ 452.27715 212.3
[M]- 452.27825 212.3
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