CID 204373

4-carboxy-3-hydroxyphenylalanine

Structural Information

Molecular Formula
C10H11NO5
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)C(=O)O
InChI
InChI=1S/C10H11NO5/c11-7(10(15)16)3-5-1-2-6(9(13)14)8(12)4-5/h1-2,4,7,12H,3,11H2,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey
LLYAFACVUYLLLQ-ZETCQYMHSA-N
Compound name
4-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.070996 147.0
[M+Na]+ 248.052938 152.9
[M-H]- 224.056444 146.4
[M+NH4]+ 243.097543 162.2
[M+K]+ 264.026878 151.0
[M+H-H2O]+ 208.060980 141.2
[M+HCOO]- 270.061921 165.4
[M+CH3COO]- 284.077571 185.5
[M+Na-2H]- 246.038386 147.2
[M]+ 225.06317142 144.4
[M]- 225.06426858 144.4
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.