CID 71292

D-ephedrine phosphate (ester)

Structural Information

Molecular Formula
C10H16NO4P
SMILES
C[C@H]([C@H](C1=CC=CC=C1)OP(=O)(O)O)NC
InChI
InChI=1S/C10H16NO4P/c1-8(11-2)10(15-16(12,13)14)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H2,12,13,14)/t8-,10-/m1/s1
InChIKey
NHCPYBTZNTVGGP-PSASIEDQSA-N
Compound name
[(1S,2R)-2-(methylamino)-1-phenylpropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0817 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08898 155.1
[M+Na]+ 268.07092 162.7
[M+NH4]+ 263.11552 160.2
[M+K]+ 284.04486 160.3
[M-H]- 244.07442 153.8
[M+Na-2H]- 266.05637 158.2
[M]+ 245.08115 155.3
[M]- 245.08225 155.3
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.