CID 10036637

2,5-dimethoxy-4-nitrophenethylamine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

COC1=CC(=C(C=C1CCN)OC)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3

InChIKey

ZMUSDZGRRJGRAO-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxy-4-nitrophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 239
Patents: 226.09535 Da
Monoisotopic Mass: 1.3
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]+	227.10263	147.2
[M+Na]+	249.08457	159.1
[M+NH4]+	244.12917	154.2
[M+K]+	265.05851	156.5
[M-H]-	225.08807	150.1
[M+Na-2H]-	247.07002	152.0
[M]+	226.09480	149.4
[M]-	226.09590	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe