CID 128062

4-aminophenylphosphorylcholine

Structural Information

Molecular Formula
C11H20N2O4P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC1=CC=C(C=C1)N
InChI
InChI=1S/C11H19N2O4P/c1-13(2,3)8-9-16-18(14,15)17-11-6-4-10(12)5-7-11/h4-7H,8-9,12H2,1-3H3/p+1
InChIKey
SBUYBNIDQXQZSZ-UHFFFAOYSA-O
Compound name
2-[(4-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

623
Patents

275.11606 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12334 160.3
[M+Na]+ 298.10528 165.9
[M-H]- 274.10878 162.6
[M+NH4]+ 293.14988 176.2
[M+K]+ 314.07922 159.7
[M+H-H2O]+ 258.11332 154.6
[M+HCOO]- 320.11426 188.0
[M+CH3COO]- 334.12991 195.7
[M+Na-2H]- 296.09073 167.9
[M]+ 275.11551 162.1
[M]- 275.11661 162.1
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