CID 18600969

N,n-dihydroxy-l-phenylalaninate

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)/t8-/m0/s1
InChIKey
IDBRDXGJPFCEFF-QMMMGPOBSA-N
Compound name
(2S)-2-(dihydroxyamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

5563
Patents

197.0688 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 141.3
[M+Na]+ 220.05802 150.0
[M+NH4]+ 215.10262 147.3
[M+K]+ 236.03196 147.4
[M-H]- 196.06152 140.9
[M+Na-2H]- 218.04347 145.4
[M]+ 197.06825 141.9
[M]- 197.06935 141.9
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