CID 160450

3-amino-l-tyrosine dihydrochloride monohydrate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)N)O
InChI
InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1
InChIKey
POGSZHUEECCEAP-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

2967
Patents

196.0848 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 142.1
[M+Na]+ 219.074018 148.4
[M-H]- 195.077524 142.5
[M+NH4]+ 214.118623 159.0
[M+K]+ 235.047958 146.0
[M+H-H2O]+ 179.082060 136.2
[M+HCOO]- 241.083001 163.2
[M+CH3COO]- 255.098651 184.8
[M+Na-2H]- 217.059466 143.7
[M]+ 196.08425142 137.8
[M]- 196.08534858 137.8
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