CID 132184

2-nitrophenylglycinamide

Structural Information

Molecular Formula

C₈H₉N₃O₃

SMILES

C1=CC=C(C(=C1)NC(=O)CN)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5,9H2,(H,10,12)

InChIKey

YLOOYNJUAMLMAA-UHFFFAOYSA-N

Compound name

2-amino-N-(2-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 195.06439 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.07167	137.0
[M+Na]+	218.05361	142.7
[M-H]-	194.05711	140.3
[M+NH4]+	213.09821	154.5
[M+K]+	234.02755	137.2
[M+H-H2O]+	178.06165	135.0
[M+HCOO]-	240.06259	163.8
[M+CH3COO]-	254.07824	180.7
[M+Na-2H]-	216.03906	144.4
[M]+	195.06384	133.2
[M]-	195.06494	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe