CID 9546706

1-tetradecyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C22H49NO6P
SMILES
CCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C22H48NO6P/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/h22,24H,5-21H2,1-4H3/p+1/t22-/m1/s1
InChIKey
MBRLTZVQXZDRBC-JOCHJYFZSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-tetradecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

454.32974 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.33702 220.3
[M+Na]+ 477.31896 223.2
[M-H]- 453.32246 214.4
[M+NH4]+ 472.36356 221.2
[M+K]+ 493.29290 218.0
[M+H-H2O]+ 437.32700 204.9
[M+HCOO]- 499.32794 234.4
[M+CH3COO]- 513.34359 229.6
[M+Na-2H]- 475.30441 204.9
[M]+ 454.32919 216.9
[M]- 454.33029 216.9
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