CID 5311265

Lysophosphatidylcholine

Structural Information

Molecular Formula
C10H23NO7P
SMILES
CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/p+1/t10-/m1/s1
InChIKey
RYCNUMLMNKHWPZ-SNVBAGLBSA-O
Compound name
2-[[(2R)-3-acetyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5202
References

31754
Patents

300.12122 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12850 165.1
[M+Na]+ 323.11044 179.5
[M-H]- 299.11394 175.3
[M+NH4]+ 318.15504 177.8
[M+K]+ 339.08438 165.5
[M+H-H2O]+ 283.11848 160.7
[M+HCOO]- 345.11942 191.2
[M+CH3COO]- 359.13507 195.0
[M+Na-2H]- 321.09589 170.5
[M]+ 300.12067 171.7
[M]- 300.12177 171.7
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