CID 460603

Lysolecithin

Structural Information

Molecular Formula
C24H51NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1
InChIKey
ASWBNKHCZGQVJV-HSZRJFAPSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

129
References

55796
Patents

496.3403 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.34758 226.4
[M+Na]+ 519.32952 229.4
[M-H]- 495.33302 222.7
[M+NH4]+ 514.37412 229.8
[M+K]+ 535.30346 225.1
[M+H-H2O]+ 479.33756 211.5
[M+HCOO]- 541.33850 238.0
[M+CH3COO]- 555.35415 236.2
[M+Na-2H]- 517.31497 210.9
[M]+ 496.33975 223.0
[M]- 496.34085 223.0
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