CID 9546722

1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C24H51NO6P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H50NO6P/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/h18,20,24,26H,5-17,19,21-23H2,1-4H3/p+1/b20-18-/t24-/m1/s1
InChIKey
HTZINLFNXLXRBC-CQLBIITFSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

68
Patents

480.3454 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.35268 225.1
[M+Na]+ 503.33462 228.1
[M-H]- 479.33812 219.2
[M+NH4]+ 498.37922 226.2
[M+K]+ 519.30856 223.3
[M+H-H2O]+ 463.34266 209.5
[M+HCOO]- 525.34360 239.2
[M+CH3COO]- 539.35925 233.8
[M+Na-2H]- 501.32007 209.2
[M]+ 480.34485 221.3
[M]- 480.34595 221.3
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