CID 9546710

111858-52-7

Structural Information

Molecular Formula
C25H55NO6P
SMILES
CCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H54NO6P/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/h25,27H,5-24H2,1-4H3/p+1/t25-/m1/s1
InChIKey
HQRBTQCLRRUGMR-RUZDIDTESA-O
Compound name
2-[[(2R)-3-heptadecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

496.3767 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.38398 231.3
[M+Na]+ 519.36592 233.5
[M-H]- 495.36942 224.2
[M+NH4]+ 514.41052 232.0
[M+K]+ 535.33986 229.6
[M+H-H2O]+ 479.37396 215.5
[M+HCOO]- 541.37490 244.1
[M+CH3COO]- 555.39055 238.3
[M+Na-2H]- 517.35137 214.4
[M]+ 496.37615 227.6
[M]- 496.37725 227.6
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