CID 2817718

61192-64-1

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C9H12N2O3/c1-10-6-9(12)7-2-4-8(5-3-7)11(13)14/h2-5,9-10,12H,6H2,1H3

InChIKey

CCRPAZWXXRIRRS-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-(4-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 196.0848 Da
Monoisotopic Mass: -0.4
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	139.9
[M+Na]+	219.07402	151.2
[M+NH4]+	214.11862	147.4
[M+K]+	235.04796	148.9
[M-H]-	195.07752	142.8
[M+Na-2H]-	217.05947	145.5
[M]+	196.08425	142.0
[M]-	196.08535	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe