CID 91820172

3-hydroxy-l-homotyrosine

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1=CC(=CC=C1C[C@@H]([C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C10H13NO4/c11-9(10(14)15)8(13)5-6-1-3-7(12)4-2-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)/t8-,9-/m0/s1
InChIKey
IRLFMJGPFKJRHJ-IUCAKERBSA-N
Compound name
(2S,3S)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

211.08446 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 146.1
[M+Na]+ 234.073678 151.1
[M-H]- 210.077184 145.2
[M+NH4]+ 229.118283 161.8
[M+K]+ 250.047618 149.1
[M+H-H2O]+ 194.081720 140.3
[M+HCOO]- 256.082661 164.2
[M+CH3COO]- 270.098311 182.7
[M+Na-2H]- 232.059126 147.0
[M]+ 211.08391142 142.5
[M]- 211.08500858 142.5
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.