CID 94665

71130-60-4

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])O

InChI

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

InChIKey

BXQBOFZTTUXRNK-UHFFFAOYSA-N

Compound name

2-(ethylaminomethyl)-4-nitrophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 196.0848 Da
Monoisotopic Mass: 1.7
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	139.8
[M+Na]+	219.07402	151.8
[M+NH4]+	214.11862	147.3
[M+K]+	235.04796	148.8
[M-H]-	195.07752	142.9
[M+Na-2H]-	217.05947	145.5
[M]+	196.08425	142.1
[M]-	196.08535	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe