CID 2758749

2-ethoxy-6-(2-nitroethenyl)phenol

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CCOC1=CC=CC(=C1O)C=C[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3

InChIKey

IYDHELOQZJRCML-UHFFFAOYSA-N

Compound name

2-ethoxy-6-(2-nitroethenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.0688 Da
Monoisotopic Mass: 2.2
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]+	210.07608	143.0
[M+Na]+	232.05802	155.7
[M+NH4]+	227.10262	150.1
[M+K]+	248.03196	152.5
[M-H]-	208.06152	145.1
[M+Na-2H]-	230.04347	148.2
[M]+	209.06825	145.1
[M]-	209.06935	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe