CID 162127

17364-21-5

Structural Information

Molecular Formula
C24H53NO6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/p+1/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2638
Patents

482.36105 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.36833 227.6
[M+Na]+ 505.35027 230.1
[M-H]- 481.35377 221.0
[M+NH4]+ 500.39487 228.5
[M+K]+ 521.32421 225.7
[M+H-H2O]+ 465.35831 212.0
[M+HCOO]- 527.35925 240.9
[M+CH3COO]- 541.37490 235.4
[M+Na-2H]- 503.33572 211.2
[M]+ 482.36050 224.0
[M]- 482.36160 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe