CID 9932596

Oleylphosphocholine

Structural Information

Molecular Formula
C23H49NO4P
SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C23H48NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h12-13H,5-11,14-23H2,1-4H3/p+1/b13-12-
InChIKey
SLVOKEOPLJCHCQ-SEYXRHQNSA-O
Compound name
2-[hydroxy-[(Z)-octadec-9-enoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

1013
Patents

434.33994 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.34722 220.1
[M+Na]+ 457.32916 225.0
[M-H]- 433.33266 212.3
[M+NH4]+ 452.37376 220.6
[M+K]+ 473.30310 219.4
[M+H-H2O]+ 417.33720 205.0
[M+HCOO]- 479.33814 238.7
[M+CH3COO]- 493.35379 229.2
[M+Na-2H]- 455.31461 205.6
[M]+ 434.33939 217.5
[M]- 434.34049 217.5
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