CID 17754207

3-amino-6-hydroxy-tyrosine

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1=C(C(=CC(=C1N)O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1
InChIKey
OIXIYIGKZVEKPI-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(5-amino-2,4-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

212.07971 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 145.1
[M+Na]+ 235.068928 151.7
[M-H]- 211.072434 144.5
[M+NH4]+ 230.113533 160.8
[M+K]+ 251.042868 149.3
[M+H-H2O]+ 195.076970 139.3
[M+HCOO]- 257.077911 164.8
[M+CH3COO]- 271.093561 186.4
[M+Na-2H]- 233.054376 145.5
[M]+ 212.07916142 140.7
[M]- 212.08025858 140.7
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