CID 14245326

2-(2-aminoethoxy)benzonitrilehydrochloride

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1=CC=C(C(=C1)C#N)OCCN

InChI

InChI=1S/C9H10N2O/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-6,10H2

InChIKey

IQOAHZWDAUBPNR-UHFFFAOYSA-N

Compound name

2-(2-aminoethoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 162.07932 Da
Monoisotopic Mass: 1.0
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]+	163.08660	135.0
[M+Na]+	185.06854	144.4
[M-H]-	161.07204	137.8
[M+NH4]+	180.11314	153.2
[M+K]+	201.04248	141.7
[M+H-H2O]+	145.07658	122.6
[M+HCOO]-	207.07752	156.3
[M+CH3COO]-	221.09317	192.3
[M+Na-2H]-	183.05399	141.1
[M]+	162.07877	129.8
[M]-	162.07987	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe