CID 65530

Beta-methyltyrosine

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(C1=CC=C(C=C1)O)C(C(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-6(9(11)10(13)14)7-2-4-8(12)5-3-7/h2-6,9,12H,11H2,1H3,(H,13,14)
InChIKey
CSKLNJOBXITXRM-UHFFFAOYSA-N
Compound name
2-amino-3-(4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

195.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 143.0
[M+Na]+ 218.07876 148.5
[M-H]- 194.08226 143.5
[M+NH4]+ 213.12336 160.2
[M+K]+ 234.05270 146.7
[M+H-H2O]+ 178.08680 137.3
[M+HCOO]- 240.08774 162.4
[M+CH3COO]- 254.10339 182.7
[M+Na-2H]- 216.06421 144.3
[M]+ 195.08899 139.7
[M]- 195.09009 139.7
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.