CID 23657838

N,n-dihydroxy-l-tryptophanate

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/t10-/m0/s1
InChIKey
FKJQZUQEYSGYFZ-JTQLQIEISA-N
Compound name
(2S)-2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

226
Patents

236.07971 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 148.7
[M+Na]+ 259.06893 155.2
[M-H]- 235.07243 148.5
[M+NH4]+ 254.11353 165.2
[M+K]+ 275.04287 152.7
[M+H-H2O]+ 219.07697 142.5
[M+HCOO]- 281.07791 167.9
[M+CH3COO]- 295.09356 186.1
[M+Na-2H]- 257.05438 152.5
[M]+ 236.07916 148.1
[M]- 236.08026 148.1
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