CID 5313854

1-dodecyl-2-acetyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C22H47NO7P
SMILES
CCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C22H46NO7P/c1-6-7-8-9-10-11-12-13-14-15-17-27-19-22(30-21(2)24)20-29-31(25,26)28-18-16-23(3,4)5/h22H,6-20H2,1-5H3/p+1/t22-/m1/s1
InChIKey
WNCMKZYTLBIUSK-JOCHJYFZSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-dodecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

468.30902 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.316296 220.7
[M+Na]+ 491.298238 225.2
[M-H]- 467.301744 218.3
[M+NH4]+ 486.342843 226.5
[M+K]+ 507.272178 219.9
[M+H-H2O]+ 451.306280 207.3
[M+HCOO]- 513.307221 234.8
[M+CH3COO]- 527.322871 232.9
[M+Na-2H]- 489.283686 206.8
[M]+ 468.30847142 218.7
[M]- 468.30956858 218.7
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