CID 446056

L-[(n-hydroxyamino)carbonyl]phenylalanine

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NO
InChI
InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1
InChIKey
IOFPEOPOAMOMBE-QMMMGPOBSA-N
Compound name
(2S)-2-(hydroxycarbamoylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

224.07971 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 148.1
[M+Na]+ 247.06893 152.0
[M-H]- 223.07243 148.7
[M+NH4]+ 242.11353 163.6
[M+K]+ 263.04287 150.6
[M+H-H2O]+ 207.07697 141.3
[M+HCOO]- 269.07791 169.6
[M+CH3COO]- 283.09356 187.4
[M+Na-2H]- 245.05438 151.6
[M]+ 224.07916 145.2
[M]- 224.08026 145.2
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