CID 30819

O-phospho-l-tyrosine

Structural Information

Molecular Formula
C9H12NO6P
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKey
DCWXELXMIBXGTH-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9080
References

51899
Patents

261.04022 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04750 155.5
[M+Na]+ 284.02944 161.8
[M+NH4]+ 279.07404 158.7
[M+K]+ 300.00338 161.5
[M-H]- 260.03294 152.2
[M+Na-2H]- 282.01489 156.4
[M]+ 261.03967 154.6
[M]- 261.04077 154.6
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