CID 774089

2604-08-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+

InChIKey

RIXCESCQOUSSJX-BQYQJAHWSA-N

Compound name

N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 39
Patents: 192.08987 Da
Monoisotopic Mass: 2.7
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]+	193.09715	140.5
[M+Na]+	215.07909	153.2
[M+NH4]+	210.12369	148.8
[M+K]+	231.05303	149.4
[M-H]-	191.08259	144.7
[M+Na-2H]-	213.06454	147.4
[M]+	192.08932	143.3
[M]-	192.09042	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe