CID 10262083

60049-83-4

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C9H12N2O3/c1-10(2)8-5-4-7(14-3)6-9(8)11(12)13/h4-6H,1-3H3

InChIKey

KSVTUPVNIVTQBR-UHFFFAOYSA-N

Compound name

4-methoxy-N,N-dimethyl-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 196.0848 Da
Monoisotopic Mass: 1.9
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	139.5
[M+Na]+	219.07402	152.2
[M+NH4]+	214.11862	147.6
[M+K]+	235.04796	149.5
[M-H]-	195.07752	143.5
[M+Na-2H]-	217.05947	146.1
[M]+	196.08425	142.3
[M]-	196.08535	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe