CID 40953

2-isopropoxy-5-nitroaniline

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N2O3/c1-6(2)14-9-4-3-7(11(12)13)5-8(9)10/h3-6H,10H2,1-2H3

InChIKey

NIHHCJZYYQHCHJ-UHFFFAOYSA-N

Compound name

5-nitro-2-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.0848 Da
Monoisotopic Mass: 2.3
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]+	197.09208	139.7
[M+Na]+	219.07402	151.6
[M+NH4]+	214.11862	147.3
[M+K]+	235.04796	149.4
[M-H]-	195.07752	143.0
[M+Na-2H]-	217.05947	145.2
[M]+	196.08425	142.0
[M]-	196.08535	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.