CID 102529832

[(2s)-2-amino-2-phenylethyl]phosphonic acid hydrochloride

Structural Information

Molecular Formula
C8H12NO3P
SMILES
C1=CC=C(C=C1)[C@@H](CP(=O)(O)O)N
InChI
InChI=1S/C8H12NO3P/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1
InChIKey
RIUVXCFTSFBTEA-MRVPVSSYSA-N
Compound name
[(2S)-2-amino-2-phenylethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05548 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06276 145.3
[M+Na]+ 224.04470 151.0
[M-H]- 200.04820 144.4
[M+NH4]+ 219.08930 162.7
[M+K]+ 240.01864 148.8
[M+H-H2O]+ 184.05274 137.5
[M+HCOO]- 246.05368 170.8
[M+CH3COO]- 260.06933 180.9
[M+Na-2H]- 222.03015 147.7
[M]+ 201.05493 142.9
[M]- 201.05603 142.9
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.