CID 5461147

N,n-dihydroxy-l-tyrosinate

Structural Information

Molecular Formula
C9H11NO5
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N(O)O)O
InChI
InChI=1S/C9H11NO5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)/t8-/m0/s1
InChIKey
QPHSFUGCBGILSS-QMMMGPOBSA-N
Compound name
(2S)-2-(dihydroxyamino)-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

80
Patents

213.06372 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07100 143.3
[M+Na]+ 236.05294 148.5
[M-H]- 212.05644 143.0
[M+NH4]+ 231.09754 159.1
[M+K]+ 252.02688 147.7
[M+H-H2O]+ 196.06098 137.4
[M+HCOO]- 258.06192 162.6
[M+CH3COO]- 272.07757 182.4
[M+Na-2H]- 234.03839 145.9
[M]+ 213.06317 141.7
[M]- 213.06427 141.7
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