CID 128935

2-methacryloyloxyethyl phosphorylcholine

Structural Information

Molecular Formula
C11H23NO6P
SMILES
CC(=C)C(=O)OCCOP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3/p+1
InChIKey
ZSZRUEAFVQITHH-UHFFFAOYSA-O
Compound name
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

361
References

13009
Patents

296.1263 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13358 165.4
[M+Na]+ 319.11552 181.5
[M-H]- 295.11902 175.6
[M+NH4]+ 314.16012 179.8
[M+K]+ 335.08946 165.7
[M+H-H2O]+ 279.12356 161.0
[M+HCOO]- 341.12450 193.3
[M+CH3COO]- 355.14015 197.4
[M+Na-2H]- 317.10097 170.5
[M]+ 296.12575 172.9
[M]- 296.12685 172.9
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