CID 10725723

(1s)-1-(2-nitrophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C8H10N2O2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,9H2,1H3

InChIKey

UWYAACMYPJUURZ-UHFFFAOYSA-N

Compound name

1-(2-nitrophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 113
Patents: 166.07423 Da
Monoisotopic Mass: 1.2
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]+	167.08151	132.3
[M+Na]+	189.06345	138.8
[M-H]-	165.06695	135.7
[M+NH4]+	184.10805	151.5
[M+K]+	205.03739	133.4
[M+H-H2O]+	149.07149	131.1
[M+HCOO]-	211.07243	157.8
[M+CH3COO]-	225.08808	175.4
[M+Na-2H]-	187.04890	139.1
[M]+	166.07368	128.7
[M]-	166.07478	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe