CID 6163756

142078-36-2

Structural Information

Molecular Formula

C₉H₁₀ClN₃O₂

SMILES

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

InChI

InChI=1S/C9H10ClN3O2/c1-12(2)4-3-7-5-9(10)11-6-8(7)13(14)15/h3-6H,1-2H3/b4-3+

InChIKey

ZKXSBZKRONWVMK-ONEGZZNKSA-N

Compound name

(E)-2-(2-chloro-5-nitropyridin-4-yl)-N,N-dimethylethenamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 227.04616 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]+	228.05344	145.0
[M+Na]+	250.03538	158.8
[M+NH4]+	245.07998	152.9
[M+K]+	266.00932	154.8
[M-H]-	226.03888	148.4
[M+Na-2H]-	248.02083	151.6
[M]+	227.04561	148.0
[M]-	227.04671	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe