CID 3058088

Choline, inner salt, n-(alpha,alpha-dimethylphenethyl)phosphoramidate

Structural Information

Molecular Formula
C15H28N2O3P
SMILES
CC(C)(CC1=CC=CC=C1)NP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C15H27N2O3P/c1-15(2,13-14-9-7-6-8-10-14)16-21(18,19)20-12-11-17(3,4)5/h6-10H,11-13H2,1-5H3,(H-,16,18,19)/p+1
InChIKey
QUTCYRJZDUIESS-UHFFFAOYSA-O
Compound name
2-[hydroxy-[(2-methyl-1-phenylpropan-2-yl)amino]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19103 175.9
[M+Na]+ 338.17297 179.5
[M-H]- 314.17647 178.0
[M+NH4]+ 333.21757 190.3
[M+K]+ 354.14691 172.7
[M+H-H2O]+ 298.18101 170.1
[M+HCOO]- 360.18195 201.1
[M+CH3COO]- 374.19760 205.7
[M+Na-2H]- 336.15842 184.3
[M]+ 315.18320 177.9
[M]- 315.18430 177.9
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

No patent data available for this compound.