CID 127766

Foslevodopa

Structural Information

Molecular Formula
C9H12NO7P
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OP(=O)(O)O
InChI
InChI=1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1
InChIKey
YNDMEEULGSTYJT-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

615
Patents

277.03513 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04241 157.7
[M+Na]+ 300.02435 163.0
[M-H]- 276.02785 154.6
[M+NH4]+ 295.06895 170.5
[M+K]+ 315.99829 162.0
[M+H-H2O]+ 260.03239 149.7
[M+HCOO]- 322.03333 179.7
[M+CH3COO]- 336.04898 191.4
[M+Na-2H]- 298.00980 157.1
[M]+ 277.03458 157.0
[M]- 277.03568 157.0
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