CID 174052

N-hydroxytyrosine

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NO)O
InChI
InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)/t8-/m0/s1
InChIKey
CNIUEVQJABPUIJ-QMMMGPOBSA-N
Compound name
(2S)-2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1045
Patents

197.0688 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.7
[M+Na]+ 220.058018 146.3
[M-H]- 196.061524 140.3
[M+NH4]+ 215.102623 157.3
[M+K]+ 236.031958 144.2
[M+H-H2O]+ 180.066060 134.9
[M+HCOO]- 242.067001 160.7
[M+CH3COO]- 256.082651 179.1
[M+Na-2H]- 218.043466 144.4
[M]+ 197.06825142 138.3
[M]- 197.06934858 138.3
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