CID 18605013

N-hydroxy-l-phenylalanine

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NO
InChI
InChI=1S/C9H11NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10,13H,6H2,(H,11,12)/t8-/m0/s1
InChIKey
VTPJSQTVPKSYCB-QMMMGPOBSA-N
Compound name
(2S)-2-(hydroxyamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

422
Patents

181.0739 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.9
[M+Na]+ 204.06312 143.1
[M-H]- 180.06662 138.6
[M+NH4]+ 199.10772 155.6
[M+K]+ 220.03706 141.3
[M+H-H2O]+ 164.07116 131.9
[M+HCOO]- 226.07210 159.3
[M+CH3COO]- 240.08775 178.1
[M+Na-2H]- 202.04857 142.8
[M]+ 181.07335 135.5
[M]- 181.07445 135.5
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