CID 5483351

N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H9N3O4
SMILES
CC(=O)NC1=CC(=CC(=C1O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12)
InChIKey
JBYMSNCIQHSWOD-UHFFFAOYSA-N
Compound name
N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

133
Patents

211.05931 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.066586 139.4
[M+Na]+ 234.048528 146.4
[M-H]- 210.052034 142.1
[M+NH4]+ 229.093133 156.0
[M+K]+ 250.022468 140.6
[M+H-H2O]+ 194.056570 137.9
[M+HCOO]- 256.057511 164.9
[M+CH3COO]- 270.073161 182.7
[M+Na-2H]- 232.033976 145.2
[M]+ 211.05876142 135.9
[M]- 211.05985858 135.9
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