CID 441350

Metyrosine

Structural Information

Molecular Formula
C10H13NO3
SMILES
C[C@](CC1=CC=C(C=C1)O)(C(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
NHTGHBARYWONDQ-JTQLQIEISA-N
Compound name
(2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1314
References

12890
Patents

195.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.2
[M+Na]+ 218.07876 151.6
[M+NH4]+ 213.12336 148.5
[M+K]+ 234.05270 148.3
[M-H]- 194.08226 141.9
[M+Na-2H]- 216.06421 146.5
[M]+ 195.08899 143.1
[M]- 195.09009 143.1
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