CID 3066653

Phenylalanine, 2-(phosphonomethyl)-, hydrate

Structural Information

Molecular Formula
C10H14NO5P
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)CP(=O)(O)O
InChI
InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-3-1-2-4-8(7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
InChIKey
MRGUIJVNFRTRSF-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-[2-(phosphonomethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.06097 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06825 157.3
[M+Na]+ 282.05019 163.9
[M+NH4]+ 277.09479 161.0
[M+K]+ 298.02413 162.8
[M-H]- 258.05369 154.5
[M+Na-2H]- 280.03564 158.4
[M]+ 259.06042 156.7
[M]- 259.06152 156.7
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

No patent data available for this compound.